(2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid

C10H12N2O4 — CID 80750927

IUPAC(2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid
SMILESCc1cccnc1C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C10H12N2O4/c1-6-3-2-4-11-8(6)9(14)12-7(5-13)10(15)16/h2-4,7,13H,5H2,1H3,(H,12,14)(H,15,16)/t7-/m1/s1
InChIKeyMGZJTAVLXXCBGV-SSDOTTSWSA-N
MW224.22 g/mol
LogP-0.43
Rot. Bonds4

About (2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid

(2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid (PubChem CID 80750927) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid
PubChem CID80750927
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name(2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid
SMILESCc1cccnc1C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C10H12N2O4/c1-6-3-2-4-11-8(6)9(14)12-7(5-13)10(15)16/h2-4,7,13H,5H2,1H3,(H,12,14)(H,15,16)/t7-/m1/s1
InChIKeyMGZJTAVLXXCBGV-SSDOTTSWSA-N
XLogP-0.43
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 107563704
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 104741912
(2S)-2-[(3-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 107517042
5-methoxy-2-[(3-methylpyridine-2-carbonyl)amino]-5-oxopentanoic acid
CID 82786990
N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide
CID 104981219
(2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 79011144
N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide
CID 115283439
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121
(2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 94402027
(2S)-4-methyl-2-[[2-[(3-methylpyridine-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695622
methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate
CID 62338800

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid (CID 80750927) is (2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid is Cc1cccnc1C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is MGZJTAVLXXCBGV-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6-3-2-4-11-8(6)9(14)12-7(5-13)10(15)16/h2-4,7,13H,5H2,1H3,(H,12,14)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid?
(2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 224.22 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 80750927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).