(2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid

C13H18N4O4 — CID 107838022

IUPAC(2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid
SMILESO=C(O)[C@@H](O)CNC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H18N4O4/c18-10(12(19)20)9-15-13(21)17-7-5-16(6-8-17)11-3-1-2-4-14-11/h1-4,10,18H,5-9H2,(H,15,21)(H,19,20)/t10-/m0/s1
InChIKeyGNUYFOVTOJQFLG-JTQLQIEISA-N
MW294.31 g/mol
LogP-0.64
Rot. Bonds4

About (2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid

(2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid (PubChem CID 107838022) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid
PubChem CID107838022
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name(2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid
SMILESO=C(O)[C@@H](O)CNC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H18N4O4/c18-10(12(19)20)9-15-13(21)17-7-5-16(6-8-17)11-3-1-2-4-14-11/h1-4,10,18H,5-9H2,(H,15,21)(H,19,20)/t10-/m0/s1
InChIKeyGNUYFOVTOJQFLG-JTQLQIEISA-N
XLogP-0.64
TPSA106.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

2-[[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]methyl]benzoic acid
CID 154843508
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
N-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 113213858
N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108883277
N-pentan-3-yl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 47151884
4-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide
CID 138994397
N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51274238
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786
N-[(2-methoxyphenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108892372
N-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108885377
N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 126447706
N-(3-ethoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 17171271

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid (CID 107838022) is (2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid is O=C(O)[C@@H](O)CNC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid?
The InChIKey is GNUYFOVTOJQFLG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N4O4/c18-10(12(19)20)9-15-13(21)17-7-5-16(6-8-17)11-3-1-2-4-14-11/h1-4,10,18H,5-9H2,(H,15,21)(H,19,20)/t10-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid?
(2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid has a molecular weight of 294.31 g/mol, XLogP of -0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 107838022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).