[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(phenylcarbamoylamino)propanoate

C21H23N3O4 — CID 8887741

IUPAC[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(phenylcarbamoylamino)propanoate
SMILESC[C@H](NC(=O)Nc1ccccc1)C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C21H23N3O4/c1-14(22-21(27)24-16-10-6-3-7-11-16)20(26)28-18(15-8-4-2-5-9-15)19(25)23-17-12-13-17/h2-11,14,17-18H,12-13H2,1H3,(H,23,25)(H2,22,24,27)/t14-,18+/m0/s1
InChIKeyNELCRWRRUFMHJN-KBXCAEBGSA-N
MW381.43 g/mol
LogP2.76
Rot. Bonds7

About [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(phenylcarbamoylamino)propanoate

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(phenylcarbamoylamino)propanoate (PubChem CID 8887741) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(phenylcarbamoylamino)propanoate.

Molecular Properties

Compound Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(phenylcarbamoylamino)propanoate
PubChem CID8887741
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(phenylcarbamoylamino)propanoate
SMILESC[C@H](NC(=O)Nc1ccccc1)C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C21H23N3O4/c1-14(22-21(27)24-16-10-6-3-7-11-16)20(26)28-18(15-8-4-2-5-9-15)19(25)23-17-12-13-17/h2-11,14,17-18H,12-13H2,1H3,(H,23,25)(H2,22,24,27)/t14-,18+/m0/s1
InChIKeyNELCRWRRUFMHJN-KBXCAEBGSA-N
XLogP2.76
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(phenylcarbamoylamino)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

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9414934
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617077
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887538
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8637077
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] (2S)-2-benzamidopropanoate
CID 8753163
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 8981946
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate
CID 8938566
[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2R)-2-(phenylcarbamoylamino)propanoate
CID 30825149
2-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethoxy]-N-phenylbenzamide
CID 9416652
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8636320
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 55390523

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(phenylcarbamoylamino)propanoate?
The IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(phenylcarbamoylamino)propanoate (CID 8887741) is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(phenylcarbamoylamino)propanoate.
What is the SMILES notation for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(phenylcarbamoylamino)propanoate?
The canonical SMILES for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(phenylcarbamoylamino)propanoate is C[C@H](NC(=O)Nc1ccccc1)C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1.
What is the InChIKey of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(phenylcarbamoylamino)propanoate?
The InChIKey is NELCRWRRUFMHJN-KBXCAEBGSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14(22-21(27)24-16-10-6-3-7-11-16)20(26)28-18(15-8-4-2-5-9-15)19(25)23-17-12-13-17/h2-11,14,17-18H,12-13H2,1H3,(H,23,25)(H2,22,24,27)/t14-,18+/m0/s1.
What are the key properties of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(phenylcarbamoylamino)propanoate?
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(phenylcarbamoylamino)propanoate has a molecular weight of 381.43 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(phenylcarbamoylamino)propanoate is sourced from PubChem (CID 8887741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).