(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid

C12H16N2O3 — CID 30054092

IUPAC(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
SMILESCC[C@H](C)[C@@H](NC(=O)c1ccccn1)C(=O)O
InChIInChI=1S/C12H16N2O3/c1-3-8(2)10(12(16)17)14-11(15)9-6-4-5-7-13-9/h4-8,10H,3H2,1-2H3,(H,14,15)(H,16,17)/t8-,10+/m0/s1
InChIKeyAPZRQXCXHGMTEL-WCBMZHEXSA-N
MW236.27 g/mol
LogP1.31
Rot. Bonds5

About (2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid

(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid (PubChem CID 30054092) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
PubChem CID30054092
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
SMILESCC[C@H](C)[C@@H](NC(=O)c1ccccn1)C(=O)O
InChIInChI=1S/C12H16N2O3/c1-3-8(2)10(12(16)17)14-11(15)9-6-4-5-7-13-9/h4-8,10H,3H2,1-2H3,(H,14,15)(H,16,17)/t8-,10+/m0/s1
InChIKeyAPZRQXCXHGMTEL-WCBMZHEXSA-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

(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide
CID 9033179
(2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid
CID 65214443
2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 82546724
3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid
CID 16795877
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid
CID 104741920
3-methyl-2-(pyridin-2-ylmethylcarbamoylamino)pentanoic acid
CID 3373459
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid
CID 120520770
3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119211592
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
N-[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]pyridine-2-carboxamide
CID 70364739

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid?
The IUPAC name of (2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid (CID 30054092) is (2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid.
What is the SMILES notation for (2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid?
The canonical SMILES for (2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid is CC[C@H](C)[C@@H](NC(=O)c1ccccn1)C(=O)O.
What is the InChIKey of (2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid?
The InChIKey is APZRQXCXHGMTEL-WCBMZHEXSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-8(2)10(12(16)17)14-11(15)9-6-4-5-7-13-9/h4-8,10H,3H2,1-2H3,(H,14,15)(H,16,17)/t8-,10+/m0/s1.
What are the key properties of (2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid?
(2R,3S)-3-methyl-2-(pyridine-2-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 (2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 30054092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).