ethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate

C14H19N3O4 — CID 61381164

IUPACethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)CNC(=O)Nc1ccccc1
InChIInChI=1S/C14H19N3O4/c1-3-21-13(19)10(2)16-12(18)9-15-14(20)17-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,16,18)(H2,15,17,20)
InChIKeyIDXULPMFNLVSIW-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.88
Rot. Bonds6

About ethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate

ethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate (PubChem CID 61381164) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate
PubChem CID61381164
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Nameethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)CNC(=O)Nc1ccccc1
InChIInChI=1S/C14H19N3O4/c1-3-21-13(19)10(2)16-12(18)9-15-14(20)17-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,16,18)(H2,15,17,20)
InChIKeyIDXULPMFNLVSIW-UHFFFAOYSA-N
XLogP0.88
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate 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

2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid
CID 43170816
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887318
ethyl (2S)-3-amino-2-(phenylcarbamoylamino)propanoate
CID 59103872
ethyl 2-benzyl-3-(phenylcarbamoylamino)propanoate
CID 60612388
ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate
CID 10084171
2-methyl-4-[[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid
CID 80536782
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(phenylcarbamoylamino)acetamide
CID 103867138
3-methyl-2-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanamide
CID 86983305
benzyl (2S)-2-[[2-(nonylcarbamoylamino)acetyl]amino]propanoate;molecular hydrogen
CID 145477001
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
ethyl (2S)-2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]propanoate
CID 139974005
N-(3-acetylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 18160954

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate?
The IUPAC name of ethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate (CID 61381164) is ethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate is CCOC(=O)C(C)NC(=O)CNC(=O)Nc1ccccc1.
What is the InChIKey of ethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate?
The InChIKey is IDXULPMFNLVSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-21-13(19)10(2)16-12(18)9-15-14(20)17-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,16,18)(H2,15,17,20).
What are the key properties of ethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate?
ethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate has a molecular weight of 293.32 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate is sourced from PubChem (CID 61381164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).