4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid

C12H16N2O3 — CID 16777118

IUPAC4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid
SMILESCC(C)CC(NC(=O)c1ccncc1)C(=O)O
InChIInChI=1S/C12H16N2O3/c1-8(2)7-10(12(16)17)14-11(15)9-3-5-13-6-4-9/h3-6,8,10H,7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyMRKWNSZYBWBVCJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.31
Rot. Bonds5

About 4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid

4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid (PubChem CID 16777118) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid
PubChem CID16777118
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid
SMILESCC(C)CC(NC(=O)c1ccncc1)C(=O)O
InChIInChI=1S/C12H16N2O3/c1-8(2)7-10(12(16)17)14-11(15)9-3-5-13-6-4-9/h3-6,8,10H,7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyMRKWNSZYBWBVCJ-UHFFFAOYSA-N
XLogP1.31
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208
(2R)-2-[(4-aminobenzoyl)amino]-4-methylpentanoic acid
CID 78975427
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
(2S)-4-methyl-2-[(4-propanoylbenzoyl)amino]pentanoic acid
CID 119361961
2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate
CID 51041763
(2S)-2-[[4-(4-hydroxyphenyl)benzoyl]amino]-4-methylpentanoic acid
CID 91416190
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid
CID 61155509
(2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 78975640
4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120516103

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid (CID 16777118) is 4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid is CC(C)CC(NC(=O)c1ccncc1)C(=O)O.
What is the InChIKey of 4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid?
The InChIKey is MRKWNSZYBWBVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(2)7-10(12(16)17)14-11(15)9-3-5-13-6-4-9/h3-6,8,10H,7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid?
4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid is sourced from PubChem (CID 16777118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).