(2R)-4-hydroxy-2-(pyrimidine-5-carbonylamino)butanoic acid

C9H11N3O4 — CID 107823506

IUPAC(2R)-4-hydroxy-2-(pyrimidine-5-carbonylamino)butanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)c1cncnc1
InChIInChI=1S/C9H11N3O4/c13-2-1-7(9(15)16)12-8(14)6-3-10-5-11-4-6/h3-5,7,13H,1-2H2,(H,12,14)(H,15,16)/t7-/m1/s1
InChIKeyZUZWTUIMDWLBPB-SSDOTTSWSA-N
MW225.20 g/mol
LogP-0.96
Rot. Bonds5

About (2R)-4-hydroxy-2-(pyrimidine-5-carbonylamino)butanoic acid

(2R)-4-hydroxy-2-(pyrimidine-5-carbonylamino)butanoic acid (PubChem CID 107823506) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-(pyrimidine-5-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-(pyrimidine-5-carbonylamino)butanoic acid
PubChem CID107823506
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name(2R)-4-hydroxy-2-(pyrimidine-5-carbonylamino)butanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)c1cncnc1
InChIInChI=1S/C9H11N3O4/c13-2-1-7(9(15)16)12-8(14)6-3-10-5-11-4-6/h3-5,7,13H,1-2H2,(H,12,14)(H,15,16)/t7-/m1/s1
InChIKeyZUZWTUIMDWLBPB-SSDOTTSWSA-N
XLogP-0.96
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(pyrimidine-5-carbonylamino)butanedioic acid
CID 102921618
N-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide
CID 104629427
(2R)-2-(pyrimidine-5-carbonylamino)propanoic acid
CID 102921462
4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid
CID 61243635
2-[(3,5-difluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61243994
2-[(3,5-dichlorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61243638
4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
CID 61243079
(2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid
CID 107823375
(2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid
CID 107822419
2-[(3,4-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 61243816
N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide
CID 104629797
(2S)-4-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 107821860

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-(pyrimidine-5-carbonylamino)butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-(pyrimidine-5-carbonylamino)butanoic acid (CID 107823506) is (2R)-4-hydroxy-2-(pyrimidine-5-carbonylamino)butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-(pyrimidine-5-carbonylamino)butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-(pyrimidine-5-carbonylamino)butanoic acid is O=C(N[C@H](CCO)C(=O)O)c1cncnc1.
What is the InChIKey of (2R)-4-hydroxy-2-(pyrimidine-5-carbonylamino)butanoic acid?
The InChIKey is ZUZWTUIMDWLBPB-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11N3O4/c13-2-1-7(9(15)16)12-8(14)6-3-10-5-11-4-6/h3-5,7,13H,1-2H2,(H,12,14)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-(pyrimidine-5-carbonylamino)butanoic acid?
(2R)-4-hydroxy-2-(pyrimidine-5-carbonylamino)butanoic acid has a molecular weight of 225.20 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-(pyrimidine-5-carbonylamino)butanoic acid is sourced from PubChem (CID 107823506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).