(2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid

C16H24N2O3 — CID 61194996

IUPAC(2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid
SMILESCC[C@H](C)C(NC(=O)Nc1cccc(C(C)C)c1)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-5-11(4)14(15(19)20)18-16(21)17-13-8-6-7-12(9-13)10(2)3/h6-11,14H,5H2,1-4H3,(H,19,20)(H2,17,18,21)/t11-,14?/m0/s1
InChIKeyPCLJCVUKXCCCDG-ZSOXZCCMSA-N
MW292.38 g/mol
LogP3.43
Rot. Bonds6

About (2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid

(2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid (PubChem CID 61194996) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid
PubChem CID61194996
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid
SMILESCC[C@H](C)C(NC(=O)Nc1cccc(C(C)C)c1)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-5-11(4)14(15(19)20)18-16(21)17-13-8-6-7-12(9-13)10(2)3/h6-11,14H,5H2,1-4H3,(H,19,20)(H2,17,18,21)/t11-,14?/m0/s1
InChIKeyPCLJCVUKXCCCDG-ZSOXZCCMSA-N
XLogP3.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic 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

(2S,3S)-3-methyl-2-[(3-methylphenyl)carbamoylamino]pentanoic acid
CID 28509192
3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 61196314
(2S,3R)-3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 104965833
(2S,3R)-2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoic acid
CID 938942
3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
CID 119211691
3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 61196687
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
2-[(9,10-dioxoanthracen-2-yl)carbamoylamino]-3-methylpentanoic acid
CID 4966865
4-methoxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 62480410
1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea
CID 61466439
(2S)-2-[(4-carbamoylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 61185112
(2S)-2-[(4-iodophenyl)carbamoylamino]-3-methylpentanoic acid
CID 61184651

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid (CID 61194996) is (2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid is CC[C@H](C)C(NC(=O)Nc1cccc(C(C)C)c1)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid?
The InChIKey is PCLJCVUKXCCCDG-ZSOXZCCMSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-11(4)14(15(19)20)18-16(21)17-13-8-6-7-12(9-13)10(2)3/h6-11,14H,5H2,1-4H3,(H,19,20)(H2,17,18,21)/t11-,14?/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid?
(2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 61194996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).