amino acetate;amino benzoate;3-(aminooxymethyl)-1,3-benzoxazol-2-one;2-(aminooxymethyl)isoindole-1,3-dione;amino 2-phenylacetate;O-benzylhydroxylamine;O-(cyclopropylmethyl)hydroxylamine;ethane;methanamine;O-(naphthalen-1-ylmethyl)hydroxylamine;O-(2-phenylethyl)hydroxylamine;O-phenylhydroxylamine

C90H147N15O19 — CID 158339367

IUPACamino acetate;amino benzoate;3-(aminooxymethyl)-1,3-benzoxazol-2-one;2-(aminooxymethyl)isoindole-1,3-dione;amino 2-phenylacetate;O-benzylhydroxylamine;O-(cyclopropylmethyl)hydroxylamine;ethane;methanamine;O-(naphthalen-1-ylmethyl)hydroxylamine;O-(2-phenylethyl)hydroxylamine;O-phenylhydroxylamine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(=O)ON.CC(=O)ON.CN.CN.NOC(=O)Cc1ccccc1.NOC(=O)c1ccccc1.NOCC1CC1.NOCCc1ccccc1.NOCN1C(=O)c2ccccc2C1=O.NOCc1cccc2ccccc12.NOCc1ccccc1.NOCn1c(=O)oc2ccccc21.NOc1ccccc1
InChIInChI=1S/C11H11NO.C9H8N2O3.C8H8N2O3.C8H9NO2.C8H11NO.C7H7NO2.C7H9NO.C6H7NO.C4H9NO.2C2H5NO2.8C2H6.2CH5N/c12-13-8-10-6-3-5-9-4-1-2-7-11(9)10;10-14-5-11-8(12)6-3-1-2-4-7(6)9(11)13;9-12-5-10-6-3-1-2-4-7(6)13-8(10)11;9-11-8(10)6-7-4-2-1-3-5-7;9-10-7-6-8-4-2-1-3-5-8;8-10-7(9)6-4-2-1-3-5-6;8-9-6-7-4-2-1-3-5-7;7-8-6-4-2-1-3-5-6;5-6-3-4-1-2-4;2*1-2(4)5-3;10*1-2/h1-7H,8,12H2;1-4H,5,10H2;1-4H,5,9H2;1-5H,6,9H2;1-5H,6-7,9H2;1-5H,8H2;1-5H,6,8H2;1-5H,7H2;4H,1-3,5H2;2*3H2,1H3;8*1-2H3;2*2H2,1H3
InChIKeyGQYVFMFJJZYUBT-UHFFFAOYSA-N
MW1743.25 g/mol
LogP13.79
Rot. Bonds17

About amino acetate;amino benzoate;3-(aminooxymethyl)-1,3-benzoxazol-2-one;2-(aminooxymethyl)isoindole-1,3-dione;amino 2-phenylacetate;O-benzylhydroxylamine;O-(cyclopropylmethyl)hydroxylamine;ethane;methanamine;O-(naphthalen-1-ylmethyl)hydroxylamine;O-(2-phenylethyl)hydroxylamine;O-phenylhydroxylamine

amino acetate;amino benzoate;3-(aminooxymethyl)-1,3-benzoxazol-2-one;2-(aminooxymethyl)isoindole-1,3-dione;amino 2-phenylacetate;O-benzylhydroxylamine;O-(cyclopropylmethyl)hydroxylamine;ethane;methanamine;O-(naphthalen-1-ylmethyl)hydroxylamine;O-(2-phenylethyl)hydroxylamine;O-phenylhydroxylamine (PubChem CID 158339367) has the molecular formula C90H147N15O19 and a molecular weight of 1743.25 g/mol. Its IUPAC name is amino acetate;amino benzoate;3-(aminooxymethyl)-1,3-benzoxazol-2-one;2-(aminooxymethyl)isoindole-1,3-dione;amino 2-phenylacetate;O-benzylhydroxylamine;O-(cyclopropylmethyl)hydroxylamine;ethane;methanamine;O-(naphthalen-1-ylmethyl)hydroxylamine;O-(2-phenylethyl)hydroxylamine;O-phenylhydroxylamine.

Molecular Properties

Compound Nameamino acetate;amino benzoate;3-(aminooxymethyl)-1,3-benzoxazol-2-one;2-(aminooxymethyl)isoindole-1,3-dione;amino 2-phenylacetate;O-benzylhydroxylamine;O-(cyclopropylmethyl)hydroxylamine;ethane;methanamine;O-(naphthalen-1-ylmethyl)hydroxylamine;O-(2-phenylethyl)hydroxylamine;O-phenylhydroxylamine
PubChem CID158339367
Molecular FormulaC90H147N15O19
Molecular Weight1743.25 g/mol
Exact Mass1742.10
IUPAC Nameamino acetate;amino benzoate;3-(aminooxymethyl)-1,3-benzoxazol-2-one;2-(aminooxymethyl)isoindole-1,3-dione;amino 2-phenylacetate;O-benzylhydroxylamine;O-(cyclopropylmethyl)hydroxylamine;ethane;methanamine;O-(naphthalen-1-ylmethyl)hydroxylamine;O-(2-phenylethyl)hydroxylamine;O-phenylhydroxylamine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(=O)ON.CC(=O)ON.CN.CN.NOC(=O)Cc1ccccc1.NOC(=O)c1ccccc1.NOCC1CC1.NOCCc1ccccc1.NOCN1C(=O)c2ccccc2C1=O.NOCc1cccc2ccccc12.NOCc1ccccc1.NOCn1c(=O)oc2ccccc21.NOc1ccccc1
InChIInChI=1S/C11H11NO.C9H8N2O3.C8H8N2O3.C8H9NO2.C8H11NO.C7H7NO2.C7H9NO.C6H7NO.C4H9NO.2C2H5NO2.8C2H6.2CH5N/c12-13-8-10-6-3-5-9-4-1-2-7-11(9)10;10-14-5-11-8(12)6-3-1-2-4-7(6)9(11)13;9-12-5-10-6-3-1-2-4-7(6)13-8(10)11;9-11-8(10)6-7-4-2-1-3-5-7;9-10-7-6-8-4-2-1-3-5-8;8-10-7(9)6-4-2-1-3-5-6;8-9-6-7-4-2-1-3-5-7;7-8-6-4-2-1-3-5-6;5-6-3-4-1-2-4;2*1-2(4)5-3;10*1-2/h1-7H,8,12H2;1-4H,5,10H2;1-4H,5,9H2;1-5H,6,9H2;1-5H,6-7,9H2;1-5H,8H2;1-5H,6,8H2;1-5H,7H2;4H,1-3,5H2;2*3H2,1H3;8*1-2H3;2*2H2,1H3
InChIKeyGQYVFMFJJZYUBT-UHFFFAOYSA-N
XLogP13.79
TPSA580.59 Ų
H-Bond Donors13
H-Bond Acceptors33
Rotatable Bonds17
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001743.25
LogP ≤ 513.79
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze amino acetate;amino benzoate;3-(aminooxymethyl)-1,3-benzoxazol-2-one;2-(aminooxymethyl)isoindole-1,3-dione;amino 2-phenylacetate;O-benzylhydroxylamine;O-(cyclopropylmethyl)hydroxylamine;ethane;methanamine;O-(naphthalen-1-ylmethyl)hydroxylamine;O-(2-phenylethyl)hydroxylamine;O-phenylhydroxylamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of amino acetate;amino benzoate;3-(aminooxymethyl)-1,3-benzoxazol-2-one;2-(aminooxymethyl)isoindole-1,3-dione;amino 2-phenylacetate;O-benzylhydroxylamine;O-(cyclopropylmethyl)hydroxylamine;ethane;methanamine;O-(naphthalen-1-ylmethyl)hydroxylamine;O-(2-phenylethyl)hydroxylamine;O-phenylhydroxylamine?
The IUPAC name of amino acetate;amino benzoate;3-(aminooxymethyl)-1,3-benzoxazol-2-one;2-(aminooxymethyl)isoindole-1,3-dione;amino 2-phenylacetate;O-benzylhydroxylamine;O-(cyclopropylmethyl)hydroxylamine;ethane;methanamine;O-(naphthalen-1-ylmethyl)hydroxylamine;O-(2-phenylethyl)hydroxylamine;O-phenylhydroxylamine (CID 158339367) is amino acetate;amino benzoate;3-(aminooxymethyl)-1,3-benzoxazol-2-one;2-(aminooxymethyl)isoindole-1,3-dione;amino 2-phenylacetate;O-benzylhydroxylamine;O-(cyclopropylmethyl)hydroxylamine;ethane;methanamine;O-(naphthalen-1-ylmethyl)hydroxylamine;O-(2-phenylethyl)hydroxylamine;O-phenylhydroxylamine.
What is the SMILES notation for amino acetate;amino benzoate;3-(aminooxymethyl)-1,3-benzoxazol-2-one;2-(aminooxymethyl)isoindole-1,3-dione;amino 2-phenylacetate;O-benzylhydroxylamine;O-(cyclopropylmethyl)hydroxylamine;ethane;methanamine;O-(naphthalen-1-ylmethyl)hydroxylamine;O-(2-phenylethyl)hydroxylamine;O-phenylhydroxylamine?
The canonical SMILES for amino acetate;amino benzoate;3-(aminooxymethyl)-1,3-benzoxazol-2-one;2-(aminooxymethyl)isoindole-1,3-dione;amino 2-phenylacetate;O-benzylhydroxylamine;O-(cyclopropylmethyl)hydroxylamine;ethane;methanamine;O-(naphthalen-1-ylmethyl)hydroxylamine;O-(2-phenylethyl)hydroxylamine;O-phenylhydroxylamine is CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)ON.CC(=O)ON.CN.CN.NOC(=O)Cc1ccccc1.NOC(=O)c1ccccc1.NOCC1CC1.NOCCc1ccccc1.NOCN1C(=O)c2ccccc2C1=O.NOCc1cccc2ccccc12.NOCc1ccccc1.NOCn1c(=O)oc2ccccc21.NOc1ccccc1.
What is the InChIKey of amino acetate;amino benzoate;3-(aminooxymethyl)-1,3-benzoxazol-2-one;2-(aminooxymethyl)isoindole-1,3-dione;amino 2-phenylacetate;O-benzylhydroxylamine;O-(cyclopropylmethyl)hydroxylamine;ethane;methanamine;O-(naphthalen-1-ylmethyl)hydroxylamine;O-(2-phenylethyl)hydroxylamine;O-phenylhydroxylamine?
The InChIKey is GQYVFMFJJZYUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO.C9H8N2O3.C8H8N2O3.C8H9NO2.C8H11NO.C7H7NO2.C7H9NO.C6H7NO.C4H9NO.2C2H5NO2.8C2H6.2CH5N/c12-13-8-10-6-3-5-9-4-1-2-7-11(9)10;10-14-5-11-8(12)6-3-1-2-4-7(6)9(11)13;9-12-5-10-6-3-1-2-4-7(6)13-8(10)11;9-11-8(10)6-7-4-2-1-3-5-7;9-10-7-6-8-4-2-1-3-5-8;8-10-7(9)6-4-2-1-3-5-6;8-9-6-7-4-2-1-3-5-7;7-8-6-4-2-1-3-5-6;5-6-3-4-1-2-4;2*1-2(4)5-3;10*1-2/h1-7H,8,12H2;1-4H,5,10H2;1-4H,5,9H2;1-5H,6,9H2;1-5H,6-7,9H2;1-5H,8H2;1-5H,6,8H2;1-5H,7H2;4H,1-3,5H2;2*3H2,1H3;8*1-2H3;2*2H2,1H3.
What are the key properties of amino acetate;amino benzoate;3-(aminooxymethyl)-1,3-benzoxazol-2-one;2-(aminooxymethyl)isoindole-1,3-dione;amino 2-phenylacetate;O-benzylhydroxylamine;O-(cyclopropylmethyl)hydroxylamine;ethane;methanamine;O-(naphthalen-1-ylmethyl)hydroxylamine;O-(2-phenylethyl)hydroxylamine;O-phenylhydroxylamine?
amino acetate;amino benzoate;3-(aminooxymethyl)-1,3-benzoxazol-2-one;2-(aminooxymethyl)isoindole-1,3-dione;amino 2-phenylacetate;O-benzylhydroxylamine;O-(cyclopropylmethyl)hydroxylamine;ethane;methanamine;O-(naphthalen-1-ylmethyl)hydroxylamine;O-(2-phenylethyl)hydroxylamine;O-phenylhydroxylamine has a molecular weight of 1743.25 g/mol, XLogP of 13.79, 17 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for amino acetate;amino benzoate;3-(aminooxymethyl)-1,3-benzoxazol-2-one;2-(aminooxymethyl)isoindole-1,3-dione;amino 2-phenylacetate;O-benzylhydroxylamine;O-(cyclopropylmethyl)hydroxylamine;ethane;methanamine;O-(naphthalen-1-ylmethyl)hydroxylamine;O-(2-phenylethyl)hydroxylamine;O-phenylhydroxylamine is sourced from PubChem (CID 158339367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).