(2S)-2-[[2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid

C18H23ClN2O4 — CID 120694375

IUPAC(2S)-2-[[2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)CNC(=O)C1CC1c1ccccc1Cl)C(=O)O
InChIInChI=1S/C18H23ClN2O4/c1-10(2)7-15(18(24)25)21-16(22)9-20-17(23)13-8-12(13)11-5-3-4-6-14(11)19/h3-6,10,12-13,15H,7-9H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)/t12?,13?,15-/m0/s1
InChIKeyDUGBYGHUDBABLF-PIMMBPRGSA-N
MW366.85 g/mol
LogP2.18
Rot. Bonds8

About (2S)-2-[[2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid

(2S)-2-[[2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid (PubChem CID 120694375) has the molecular formula C18H23ClN2O4 and a molecular weight of 366.85 g/mol. Its IUPAC name is (2S)-2-[[2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid
PubChem CID120694375
Molecular FormulaC18H23ClN2O4
Molecular Weight366.85 g/mol
Exact Mass366.13
IUPAC Name(2S)-2-[[2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)CNC(=O)C1CC1c1ccccc1Cl)C(=O)O
InChIInChI=1S/C18H23ClN2O4/c1-10(2)7-15(18(24)25)21-16(22)9-20-17(23)13-8-12(13)11-5-3-4-6-14(11)19/h3-6,10,12-13,15H,7-9H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)/t12?,13?,15-/m0/s1
InChIKeyDUGBYGHUDBABLF-PIMMBPRGSA-N
XLogP2.18
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic 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-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119188260
(2S)-2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119362074
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225300
(2S)-2-[[2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695218
(2S)-2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 119360646
2-(2-chlorophenyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 51291710
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119188628
(2S)-4-methyl-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]pentanoic acid
CID 119362041
3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 97324672
(2S)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2-(4-fluorophenyl)propanoic acid
CID 129467974
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2-cyclopropylacetic acid
CID 119213489

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[[2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid (CID 120694375) is (2S)-2-[[2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid is CC(C)C[C@H](NC(=O)CNC(=O)C1CC1c1ccccc1Cl)C(=O)O.
What is the InChIKey of (2S)-2-[[2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid?
The InChIKey is DUGBYGHUDBABLF-PIMMBPRGSA-N. The full InChI is InChI=1S/C18H23ClN2O4/c1-10(2)7-15(18(24)25)21-16(22)9-20-17(23)13-8-12(13)11-5-3-4-6-14(11)19/h3-6,10,12-13,15H,7-9H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)/t12?,13?,15-/m0/s1.
What are the key properties of (2S)-2-[[2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid?
(2S)-2-[[2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid has a molecular weight of 366.85 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 120694375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).