cyclohexane;methane;1-[2-(methoxyamino)acetyl]pyrrolidine-2-carboxylic acid;propane

C18H38N2O4 — CID 143581071

IUPACcyclohexane;methane;1-[2-(methoxyamino)acetyl]pyrrolidine-2-carboxylic acid;propane
SMILESC.C1CCCCC1.CCC.CONCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C8H14N2O4.C6H12.C3H8.CH4/c1-14-9-5-7(11)10-4-2-3-6(10)8(12)13;1-2-4-6-5-3-1;1-3-2;/h6,9H,2-5H2,1H3,(H,12,13);1-6H2;3H2,1-2H3;1H4
InChIKeyKJMSDKVPFWGWOO-UHFFFAOYSA-N
MW346.51 g/mol
LogP3.61
Rot. Bonds4

About cyclohexane;methane;1-[2-(methoxyamino)acetyl]pyrrolidine-2-carboxylic acid;propane

cyclohexane;methane;1-[2-(methoxyamino)acetyl]pyrrolidine-2-carboxylic acid;propane (PubChem CID 143581071) has the molecular formula C18H38N2O4 and a molecular weight of 346.51 g/mol. Its IUPAC name is cyclohexane;methane;1-[2-(methoxyamino)acetyl]pyrrolidine-2-carboxylic acid;propane.

Molecular Properties

Compound Namecyclohexane;methane;1-[2-(methoxyamino)acetyl]pyrrolidine-2-carboxylic acid;propane
PubChem CID143581071
Molecular FormulaC18H38N2O4
Molecular Weight346.51 g/mol
Exact Mass346.28
IUPAC Namecyclohexane;methane;1-[2-(methoxyamino)acetyl]pyrrolidine-2-carboxylic acid;propane
SMILESC.C1CCCCC1.CCC.CONCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C8H14N2O4.C6H12.C3H8.CH4/c1-14-9-5-7(11)10-4-2-3-6(10)8(12)13;1-2-4-6-5-3-1;1-3-2;/h6,9H,2-5H2,1H3,(H,12,13);1-6H2;3H2,1-2H3;1H4
InChIKeyKJMSDKVPFWGWOO-UHFFFAOYSA-N
XLogP3.61
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
(2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 79281055
1-[2-(cyclopropylmethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 61157492
(2S)-1-[2-(butanoylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 119365379
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid
CID 59676020
1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 43355713
1-[2-(2,2-dimethylpropanoylamino)acetyl]piperidine-2-carboxylic acid
CID 43356114
(2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 61174194
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356993
(2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid
CID 66263294

Frequently Asked Questions

What is the IUPAC name of cyclohexane;methane;1-[2-(methoxyamino)acetyl]pyrrolidine-2-carboxylic acid;propane?
The IUPAC name of cyclohexane;methane;1-[2-(methoxyamino)acetyl]pyrrolidine-2-carboxylic acid;propane (CID 143581071) is cyclohexane;methane;1-[2-(methoxyamino)acetyl]pyrrolidine-2-carboxylic acid;propane.
What is the SMILES notation for cyclohexane;methane;1-[2-(methoxyamino)acetyl]pyrrolidine-2-carboxylic acid;propane?
The canonical SMILES for cyclohexane;methane;1-[2-(methoxyamino)acetyl]pyrrolidine-2-carboxylic acid;propane is C.C1CCCCC1.CCC.CONCC(=O)N1CCCC1C(=O)O.
What is the InChIKey of cyclohexane;methane;1-[2-(methoxyamino)acetyl]pyrrolidine-2-carboxylic acid;propane?
The InChIKey is KJMSDKVPFWGWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4.C6H12.C3H8.CH4/c1-14-9-5-7(11)10-4-2-3-6(10)8(12)13;1-2-4-6-5-3-1;1-3-2;/h6,9H,2-5H2,1H3,(H,12,13);1-6H2;3H2,1-2H3;1H4.
What are the key properties of cyclohexane;methane;1-[2-(methoxyamino)acetyl]pyrrolidine-2-carboxylic acid;propane?
cyclohexane;methane;1-[2-(methoxyamino)acetyl]pyrrolidine-2-carboxylic acid;propane has a molecular weight of 346.51 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;methane;1-[2-(methoxyamino)acetyl]pyrrolidine-2-carboxylic acid;propane is sourced from PubChem (CID 143581071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).