(2R)-3-(1H-imidazol-5-yl)-2-(pyridine-3-carbonylamino)propanoic acid

C12H12N4O3 — CID 30051636

IUPAC(2R)-3-(1H-imidazol-5-yl)-2-(pyridine-3-carbonylamino)propanoic acid
SMILESO=C(N[C@H](Cc1cnc[nH]1)C(=O)O)c1cccnc1
InChIInChI=1S/C12H12N4O3/c17-11(8-2-1-3-13-5-8)16-10(12(18)19)4-9-6-14-7-15-9/h1-3,5-7,10H,4H2,(H,14,15)(H,16,17)(H,18,19)/t10-/m1/s1
InChIKeyGPQHCHATAXVUOT-SNVBAGLBSA-N
MW260.25 g/mol
LogP0.23
Rot. Bonds5

About (2R)-3-(1H-imidazol-5-yl)-2-(pyridine-3-carbonylamino)propanoic acid

(2R)-3-(1H-imidazol-5-yl)-2-(pyridine-3-carbonylamino)propanoic acid (PubChem CID 30051636) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is (2R)-3-(1H-imidazol-5-yl)-2-(pyridine-3-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(1H-imidazol-5-yl)-2-(pyridine-3-carbonylamino)propanoic acid
PubChem CID30051636
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name(2R)-3-(1H-imidazol-5-yl)-2-(pyridine-3-carbonylamino)propanoic acid
SMILESO=C(N[C@H](Cc1cnc[nH]1)C(=O)O)c1cccnc1
InChIInChI=1S/C12H12N4O3/c17-11(8-2-1-3-13-5-8)16-10(12(18)19)4-9-6-14-7-15-9/h1-3,5-7,10H,4H2,(H,14,15)(H,16,17)(H,18,19)/t10-/m1/s1
InChIKeyGPQHCHATAXVUOT-SNVBAGLBSA-N
XLogP0.23
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxybenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 43184154
2-[(3-chlorobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 16773784
2-[(4-bromobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 16771532
3-(1H-imidazol-5-yl)-2-[(4-methylbenzoyl)amino]propanoic acid
CID 16778480
2-[(3-ethoxybenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 108801732
[4-[[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]carbamoyl]phenyl]-methylidyneazanium
CID 176831239
3-(1H-imidazol-5-yl)-2-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 107864154
(2R)-2-[(3,5-dibromobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 107971712
(2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 28742442
2-[(3-chloropyridine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 66462995
(2S)-3-(1H-imidazol-5-yl)-2-[(4-methoxybenzoyl)amino]propanoic acid
CID 697445
(2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 114326240

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-(pyridine-3-carbonylamino)propanoic acid?
The IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-(pyridine-3-carbonylamino)propanoic acid (CID 30051636) is (2R)-3-(1H-imidazol-5-yl)-2-(pyridine-3-carbonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-(1H-imidazol-5-yl)-2-(pyridine-3-carbonylamino)propanoic acid?
The canonical SMILES for (2R)-3-(1H-imidazol-5-yl)-2-(pyridine-3-carbonylamino)propanoic acid is O=C(N[C@H](Cc1cnc[nH]1)C(=O)O)c1cccnc1.
What is the InChIKey of (2R)-3-(1H-imidazol-5-yl)-2-(pyridine-3-carbonylamino)propanoic acid?
The InChIKey is GPQHCHATAXVUOT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12N4O3/c17-11(8-2-1-3-13-5-8)16-10(12(18)19)4-9-6-14-7-15-9/h1-3,5-7,10H,4H2,(H,14,15)(H,16,17)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-3-(1H-imidazol-5-yl)-2-(pyridine-3-carbonylamino)propanoic acid?
(2R)-3-(1H-imidazol-5-yl)-2-(pyridine-3-carbonylamino)propanoic acid has a molecular weight of 260.25 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-imidazol-5-yl)-2-(pyridine-3-carbonylamino)propanoic acid is sourced from PubChem (CID 30051636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).