(2R)-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid

C12H17N3O3 — CID 107566981

IUPAC(2R)-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)Nc1cnccc1C)C(=O)O
InChIInChI=1S/C12H17N3O3/c1-3-4-9(11(16)17)14-12(18)15-10-7-13-6-5-8(10)2/h5-7,9H,3-4H2,1-2H3,(H,16,17)(H2,14,15,18)/t9-/m1/s1
InChIKeyOZSPGLORQOHWKL-SECBINFHSA-N
MW251.29 g/mol
LogP1.76
Rot. Bonds5

About (2R)-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid

(2R)-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid (PubChem CID 107566981) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2R)-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
PubChem CID107566981
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(2R)-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)Nc1cnccc1C)C(=O)O
InChIInChI=1S/C12H17N3O3/c1-3-4-9(11(16)17)14-12(18)15-10-7-13-6-5-8(10)2/h5-7,9H,3-4H2,1-2H3,(H,16,17)(H2,14,15,18)/t9-/m1/s1
InChIKeyOZSPGLORQOHWKL-SECBINFHSA-N
XLogP1.76
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-5-amino-2-[(4-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
CID 107830876
2-[(4-methyl-3-pyridinyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 63327509
5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 81082252
(2S)-4-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid
CID 63327853
2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid
CID 61199945
1-ethyl-3-(4-methyl-3-pyridinyl)urea
CID 115776522
(2S)-2-[(2-fluoro-3-methylphenyl)carbamoylamino]pentanoic acid
CID 114254327
2-acetamido-N-(4-methyl-3-pyridinyl)-3-sulfanylpropanamide
CID 107769542
(2S)-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]pentanoic acid
CID 107567837
(2S)-2-[(2-bromophenyl)carbamoylamino]pentanoic acid
CID 107566056
2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid
CID 61197706
(2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid
CID 107564789

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid (CID 107566981) is (2R)-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)Nc1cnccc1C)C(=O)O.
What is the InChIKey of (2R)-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid?
The InChIKey is OZSPGLORQOHWKL-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-4-9(11(16)17)14-12(18)15-10-7-13-6-5-8(10)2/h5-7,9H,3-4H2,1-2H3,(H,16,17)(H2,14,15,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid?
(2R)-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid has a molecular weight of 251.29 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 107566981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).