(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid

C9H9ClN2O3 — CID 66462207

IUPAC(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1ccncc1Cl)C(=O)O
InChIInChI=1S/C9H9ClN2O3/c1-5(9(14)15)12-8(13)6-2-3-11-4-7(6)10/h2-5H,1H3,(H,12,13)(H,14,15)/t5-/m0/s1
InChIKeyJPQFURJDSMAFDI-YFKPBYRVSA-N
MW228.63 g/mol
LogP0.94
Rot. Bonds3

About (2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid

(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid (PubChem CID 66462207) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.63 g/mol. Its IUPAC name is (2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid
PubChem CID66462207
Molecular FormulaC9H9ClN2O3
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC Name(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1ccncc1Cl)C(=O)O
InChIInChI=1S/C9H9ClN2O3/c1-5(9(14)15)12-8(13)6-2-3-11-4-7(6)10/h2-5H,1H3,(H,12,13)(H,14,15)/t5-/m0/s1
InChIKeyJPQFURJDSMAFDI-YFKPBYRVSA-N
XLogP0.94
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66464223
3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 66484526
(2S,3R)-2-[(3-chloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964857
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
(2R)-2-[(3-chloropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750607
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 77135183
(2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid
CID 66462208
3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 113246489
3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide
CID 82939115
3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide
CID 115667153
3-chloro-N-propan-2-yloxypyridine-4-carboxamide
CID 131031569
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid (CID 66462207) is (2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid is C[C@H](NC(=O)c1ccncc1Cl)C(=O)O.
What is the InChIKey of (2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid?
The InChIKey is JPQFURJDSMAFDI-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H9ClN2O3/c1-5(9(14)15)12-8(13)6-2-3-11-4-7(6)10/h2-5H,1H3,(H,12,13)(H,14,15)/t5-/m0/s1.
What are the key properties of (2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid?
(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid has a molecular weight of 228.63 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 66462207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).