2-[[4-[[(2S)-2-aminopropanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]acetic acid

C15H20ClN3O4 — CID 154808714

IUPAC2-[[4-[[(2S)-2-aminopropanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]acetic acid
SMILESC[C@H](N)C(=O)NCC(CC(=O)NCC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O4/c1-9(17)15(23)19-7-11(6-13(20)18-8-14(21)22)10-2-4-12(16)5-3-10/h2-5,9,11H,6-8,17H2,1H3,(H,18,20)(H,19,23)(H,21,22)/t9-,11?/m0/s1
InChIKeyUMOVDAKOMCRRED-FTNKSUMCSA-N
MW341.80 g/mol
LogP0.48
Rot. Bonds8

About 2-[[4-[[(2S)-2-aminopropanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]acetic acid

2-[[4-[[(2S)-2-aminopropanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]acetic acid (PubChem CID 154808714) has the molecular formula C15H20ClN3O4 and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-[[4-[[(2S)-2-aminopropanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[[(2S)-2-aminopropanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]acetic acid
PubChem CID154808714
Molecular FormulaC15H20ClN3O4
Molecular Weight341.80 g/mol
Exact Mass341.11
IUPAC Name2-[[4-[[(2S)-2-aminopropanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]acetic acid
SMILESC[C@H](N)C(=O)NCC(CC(=O)NCC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O4/c1-9(17)15(23)19-7-11(6-13(20)18-8-14(21)22)10-2-4-12(16)5-3-10/h2-5,9,11H,6-8,17H2,1H3,(H,18,20)(H,19,23)(H,21,22)/t9-,11?/m0/s1
InChIKeyUMOVDAKOMCRRED-FTNKSUMCSA-N
XLogP0.48
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[[(2S)-2-aminopropanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]acetic acid 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-[[(3R)-4-[[(2S)-2-aminopropanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]acetic acid;hydrochloride
CID 44668115
3-[[(3R)-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]propanoic acid;hydrochloride
CID 44667355
2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460165
2-[[2-(2-aminopropanoylamino)acetyl]amino]acetic acid;hydrate
CID 86146096
3-(4-chlorophenyl)-5-(methylamino)-5-oxopentanoic acid
CID 82132170
(2S)-2-[[(3R)-4-[[(2S)-2-azaniumylpropanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]propanoate
CID 40816118
(3R)-3-(4-chlorophenyl)-4-[[(1R)-1-(2-methylpropanoyloxy)ethoxy]carbonylamino]butanoic acid
CID 66662602
(3R)-3-(4-chlorophenyl)-4-[[(1S)-1-(2-methylpropanoyloxy)ethoxy]carbonylamino]butanoic acid
CID 66662741
3-(4-chlorophenyl)-4-(ethylamino)butanoic acid
CID 142142962
(3R)-3-(4-chlorophenyl)-4-[1-(2-methylpropanoyloxy)propoxycarbonylamino]butanoic acid
CID 90989841
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 119272218

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[(2S)-2-aminopropanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[[(2S)-2-aminopropanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]acetic acid (CID 154808714) is 2-[[4-[[(2S)-2-aminopropanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[[(2S)-2-aminopropanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[[(2S)-2-aminopropanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]acetic acid is C[C@H](N)C(=O)NCC(CC(=O)NCC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[4-[[(2S)-2-aminopropanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]acetic acid?
The InChIKey is UMOVDAKOMCRRED-FTNKSUMCSA-N. The full InChI is InChI=1S/C15H20ClN3O4/c1-9(17)15(23)19-7-11(6-13(20)18-8-14(21)22)10-2-4-12(16)5-3-10/h2-5,9,11H,6-8,17H2,1H3,(H,18,20)(H,19,23)(H,21,22)/t9-,11?/m0/s1.
What are the key properties of 2-[[4-[[(2S)-2-aminopropanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]acetic acid?
2-[[4-[[(2S)-2-aminopropanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]acetic acid has a molecular weight of 341.80 g/mol, XLogP of 0.48, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[(2S)-2-aminopropanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]acetic acid is sourced from PubChem (CID 154808714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).