ethyl 2-[(3-amino-2-methoxypropanoyl)-propan-2-ylamino]acetate

C11H22N2O4 — CID 106112261

IUPACethyl 2-[(3-amino-2-methoxypropanoyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)C(CN)OC)C(C)C
InChIInChI=1S/C11H22N2O4/c1-5-17-10(14)7-13(8(2)3)11(15)9(6-12)16-4/h8-9H,5-7,12H2,1-4H3
InChIKeyROENXUSNAJSSFI-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.24
Rot. Bonds7

About ethyl 2-[(3-amino-2-methoxypropanoyl)-propan-2-ylamino]acetate

ethyl 2-[(3-amino-2-methoxypropanoyl)-propan-2-ylamino]acetate (PubChem CID 106112261) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 2-[(3-amino-2-methoxypropanoyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-2-methoxypropanoyl)-propan-2-ylamino]acetate
PubChem CID106112261
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Nameethyl 2-[(3-amino-2-methoxypropanoyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)C(CN)OC)C(C)C
InChIInChI=1S/C11H22N2O4/c1-5-17-10(14)7-13(8(2)3)11(15)9(6-12)16-4/h8-9H,5-7,12H2,1-4H3
InChIKeyROENXUSNAJSSFI-UHFFFAOYSA-N
XLogP-0.24
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-amino-2-methylpropanoyl)-propan-2-ylamino]acetate
CID 62670368
3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methyl-3-oxopropanoic acid
CID 114897747
ethyl 2-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate
CID 113416241
ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]-propan-2-ylamino]acetate
CID 61158746
ethyl 2-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]acetate
CID 61022871
ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate
CID 170383647
ethyl 2-[[2-(carbamoylamino)-3-methylbutanoyl]-propan-2-ylamino]acetate
CID 61021307
3-amino-N-butan-2-yl-N-butyl-2-methoxypropanamide
CID 106112047
ethyl 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-propan-2-ylamino]acetate
CID 61022550
ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate
CID 103908490
ethane;ethyl 2-[(2-cyanoacetyl)-propan-2-ylamino]acetate
CID 170570680
2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid
CID 61327891

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-2-methoxypropanoyl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(3-amino-2-methoxypropanoyl)-propan-2-ylamino]acetate (CID 106112261) is ethyl 2-[(3-amino-2-methoxypropanoyl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-amino-2-methoxypropanoyl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(3-amino-2-methoxypropanoyl)-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)C(CN)OC)C(C)C.
What is the InChIKey of ethyl 2-[(3-amino-2-methoxypropanoyl)-propan-2-ylamino]acetate?
The InChIKey is ROENXUSNAJSSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-5-17-10(14)7-13(8(2)3)11(15)9(6-12)16-4/h8-9H,5-7,12H2,1-4H3.
What are the key properties of ethyl 2-[(3-amino-2-methoxypropanoyl)-propan-2-ylamino]acetate?
ethyl 2-[(3-amino-2-methoxypropanoyl)-propan-2-ylamino]acetate has a molecular weight of 246.31 g/mol, XLogP of -0.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-amino-2-methoxypropanoyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 106112261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).