ethyl 2-[(1-amino-1-oxobutan-2-yl)-propylamino]acetate

C11H22N2O3 — CID 62899515

IUPACethyl 2-[(1-amino-1-oxobutan-2-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(CC)C(N)=O
InChIInChI=1S/C11H22N2O3/c1-4-7-13(8-10(14)16-6-3)9(5-2)11(12)15/h9H,4-8H2,1-3H3,(H2,12,15)
InChIKeyXPHDRVOPRBWWNV-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.53
Rot. Bonds8

About ethyl 2-[(1-amino-1-oxobutan-2-yl)-propylamino]acetate

ethyl 2-[(1-amino-1-oxobutan-2-yl)-propylamino]acetate (PubChem CID 62899515) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 2-[(1-amino-1-oxobutan-2-yl)-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-amino-1-oxobutan-2-yl)-propylamino]acetate
PubChem CID62899515
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl 2-[(1-amino-1-oxobutan-2-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(CC)C(N)=O
InChIInChI=1S/C11H22N2O3/c1-4-7-13(8-10(14)16-6-3)9(5-2)11(12)15/h9H,4-8H2,1-3H3,(H2,12,15)
InChIKeyXPHDRVOPRBWWNV-UHFFFAOYSA-N
XLogP0.53
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(1-amino-1-oxobutan-2-yl)-propylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate
CID 64663015
diethyl 2-[5-aminopentyl-(2-ethoxy-2-oxoethyl)amino]butanedioate
CID 58695040
ethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62026762
2-[methyl(propyl)amino]butanamide
CID 62900463
ethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate
CID 62026570
diethyl (2S)-2-[4-cyanobutyl-(2-ethoxy-2-oxoethyl)amino]butanedioate
CID 71420266
ethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]pentanoate
CID 83043236
4-[bis(2-ethoxy-2-oxoethyl)amino]-5-ethoxy-5-oxopentanoic acid
CID 58703850
ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate
CID 62922968
2-[ethyl(2-hydroxyethyl)amino]butanamide
CID 62900659
ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate
CID 62026057
ethyl 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]butanoate
CID 64660529

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-amino-1-oxobutan-2-yl)-propylamino]acetate?
The IUPAC name of ethyl 2-[(1-amino-1-oxobutan-2-yl)-propylamino]acetate (CID 62899515) is ethyl 2-[(1-amino-1-oxobutan-2-yl)-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(1-amino-1-oxobutan-2-yl)-propylamino]acetate?
The canonical SMILES for ethyl 2-[(1-amino-1-oxobutan-2-yl)-propylamino]acetate is CCCN(CC(=O)OCC)C(CC)C(N)=O.
What is the InChIKey of ethyl 2-[(1-amino-1-oxobutan-2-yl)-propylamino]acetate?
The InChIKey is XPHDRVOPRBWWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-7-13(8-10(14)16-6-3)9(5-2)11(12)15/h9H,4-8H2,1-3H3,(H2,12,15).
What are the key properties of ethyl 2-[(1-amino-1-oxobutan-2-yl)-propylamino]acetate?
ethyl 2-[(1-amino-1-oxobutan-2-yl)-propylamino]acetate has a molecular weight of 230.31 g/mol, XLogP of 0.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-amino-1-oxobutan-2-yl)-propylamino]acetate is sourced from PubChem (CID 62899515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).