(2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]pentanoic acid

C11H15N3O3 — CID 125041047

IUPAC(2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1cncnc1C)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-3-4-9(11(16)17)14-10(15)8-5-12-6-13-7(8)2/h5-6,9H,3-4H2,1-2H3,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyWEEGXBAODZVZLA-SECBINFHSA-N
MW237.26 g/mol
LogP0.77
Rot. Bonds5

About (2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]pentanoic acid

(2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]pentanoic acid (PubChem CID 125041047) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]pentanoic acid
PubChem CID125041047
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name(2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1cncnc1C)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-3-4-9(11(16)17)14-10(15)8-5-12-6-13-7(8)2/h5-6,9H,3-4H2,1-2H3,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyWEEGXBAODZVZLA-SECBINFHSA-N
XLogP0.77
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]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

2-(1H-imidazole-2-carbonylamino)pentanoic acid
CID 167781868
(2S)-2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]pentanoic acid
CID 114037285
2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]pentanoic acid
CID 114036486
2-[(2-hydroxybenzoyl)amino]pentanoic acid
CID 43630253
2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid
CID 63654513
2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid
CID 43630361
2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid
CID 106683349
(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid
CID 107563235
2-[(2,3,4,5,6-pentamethylbenzoyl)amino]pentanoic acid
CID 43630457
2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide
CID 92648513
(2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid
CID 98538518
(2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid
CID 107562920

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]pentanoic acid (CID 125041047) is (2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]pentanoic acid is CCC[C@@H](NC(=O)c1cncnc1C)C(=O)O.
What is the InChIKey of (2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]pentanoic acid?
The InChIKey is WEEGXBAODZVZLA-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-4-9(11(16)17)14-10(15)8-5-12-6-13-7(8)2/h5-6,9H,3-4H2,1-2H3,(H,14,15)(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]pentanoic acid?
(2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]pentanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 125041047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).