(2S)-2-[(5-methyl-3-pyridinyl)carbamoylamino]butanoic acid

C11H15N3O3 — CID 107586158

IUPAC(2S)-2-[(5-methyl-3-pyridinyl)carbamoylamino]butanoic acid
SMILESCC[C@H](NC(=O)Nc1cncc(C)c1)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-3-9(10(15)16)14-11(17)13-8-4-7(2)5-12-6-8/h4-6,9H,3H2,1-2H3,(H,15,16)(H2,13,14,17)/t9-/m0/s1
InChIKeyJZURCPWSGSKVAF-VIFPVBQESA-N
MW237.26 g/mol
LogP1.37
Rot. Bonds4

About (2S)-2-[(5-methyl-3-pyridinyl)carbamoylamino]butanoic acid

(2S)-2-[(5-methyl-3-pyridinyl)carbamoylamino]butanoic acid (PubChem CID 107586158) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2S)-2-[(5-methyl-3-pyridinyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-methyl-3-pyridinyl)carbamoylamino]butanoic acid
PubChem CID107586158
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name(2S)-2-[(5-methyl-3-pyridinyl)carbamoylamino]butanoic acid
SMILESCC[C@H](NC(=O)Nc1cncc(C)c1)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-3-9(10(15)16)14-11(17)13-8-4-7(2)5-12-6-8/h4-6,9H,3H2,1-2H3,(H,15,16)(H2,13,14,17)/t9-/m0/s1
InChIKeyJZURCPWSGSKVAF-VIFPVBQESA-N
XLogP1.37
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(5-methyl-3-pyridinyl)carbamoylamino]butanoic 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)-3-hydroxy-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107265712
(2R)-2-[(5-methyl-3-pyridinyl)carbamoylamino]hexanedioic acid
CID 107841591
4,4-dimethyl-3-[(5-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 107586010
2-[(4-bromo-3-methylphenyl)carbamoylamino]butanoic acid
CID 61182819
2-hydroxy-3-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107586007
(2S)-2-[(5-bromo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid
CID 114222532
2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid
CID 107265694
1-(5-methyl-3-pyridinyl)-3-phenylurea
CID 110748489
(2S)-2-[(2-bromo-5-methylphenyl)carbamoylamino]butanoic acid
CID 82766171
(2S)-2-[(3,5-dimethylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61191039
1-butyl-3-(5-methyl-3-pyridinyl)urea
CID 103739077
2-amino-2-ethyl-N-(5-methyl-3-pyridinyl)butanamide
CID 107585461

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-methyl-3-pyridinyl)carbamoylamino]butanoic acid?
The IUPAC name of (2S)-2-[(5-methyl-3-pyridinyl)carbamoylamino]butanoic acid (CID 107586158) is (2S)-2-[(5-methyl-3-pyridinyl)carbamoylamino]butanoic acid.
What is the SMILES notation for (2S)-2-[(5-methyl-3-pyridinyl)carbamoylamino]butanoic acid?
The canonical SMILES for (2S)-2-[(5-methyl-3-pyridinyl)carbamoylamino]butanoic acid is CC[C@H](NC(=O)Nc1cncc(C)c1)C(=O)O.
What is the InChIKey of (2S)-2-[(5-methyl-3-pyridinyl)carbamoylamino]butanoic acid?
The InChIKey is JZURCPWSGSKVAF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-9(10(15)16)14-11(17)13-8-4-7(2)5-12-6-8/h4-6,9H,3H2,1-2H3,(H,15,16)(H2,13,14,17)/t9-/m0/s1.
What are the key properties of (2S)-2-[(5-methyl-3-pyridinyl)carbamoylamino]butanoic acid?
(2S)-2-[(5-methyl-3-pyridinyl)carbamoylamino]butanoic acid has a molecular weight of 237.26 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-methyl-3-pyridinyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 107586158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).