(2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid

C13H17ClN2O3 — CID 124517125

IUPAC(2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](CNC(=O)c1ccc(Cl)cn1)C(=O)O
InChIInChI=1S/C13H17ClN2O3/c1-8(2)5-9(13(18)19)6-16-12(17)11-4-3-10(14)7-15-11/h3-4,7-9H,5-6H2,1-2H3,(H,16,17)(H,18,19)/t9-/m0/s1
InChIKeyIGROMBLGUMSANO-VIFPVBQESA-N
MW284.74 g/mol
LogP2.21
Rot. Bonds6

About (2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid

(2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid (PubChem CID 124517125) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is (2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
PubChem CID124517125
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name(2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](CNC(=O)c1ccc(Cl)cn1)C(=O)O
InChIInChI=1S/C13H17ClN2O3/c1-8(2)5-9(13(18)19)6-16-12(17)11-4-3-10(14)7-15-11/h3-4,7-9H,5-6H2,1-2H3,(H,16,17)(H,18,19)/t9-/m0/s1
InChIKeyIGROMBLGUMSANO-VIFPVBQESA-N
XLogP2.21
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 122108015
2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119253750
2-[[(5-chloro-2-iodobenzoyl)amino]methyl]-4-methylpentanoic acid
CID 103791345
methyl 2-chloro-3-[(5-chloropyridine-2-carbonyl)amino]propanoate
CID 103492919
2-[[[1-(2-chlorophenyl)triazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 119253058
4-methyl-2-[[[4-(trifluoromethyl)benzoyl]amino]methyl]pentanoic acid
CID 119252785
4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid
CID 119253199
4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid
CID 120528496
2-[[(2,6-dimethylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 103925730
N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide
CID 114315736
2-[[4-(4-chlorophenyl)butanoylamino]methyl]-4-methylpentanoic acid
CID 119252864
5-chloro-N-[(2R)-2-(2-oxopiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 99840939

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid (CID 124517125) is (2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid is CC(C)C[C@@H](CNC(=O)c1ccc(Cl)cn1)C(=O)O.
What is the InChIKey of (2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid?
The InChIKey is IGROMBLGUMSANO-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-8(2)5-9(13(18)19)6-16-12(17)11-4-3-10(14)7-15-11/h3-4,7-9H,5-6H2,1-2H3,(H,16,17)(H,18,19)/t9-/m0/s1.
What are the key properties of (2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid?
(2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid has a molecular weight of 284.74 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 124517125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).