4-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]butanoic acid

C13H18N4O4 — CID 61244571

IUPAC4-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]butanoic acid
SMILESO=C(O)C(CCO)NC(=O)C1CCCN1c1ncccn1
InChIInChI=1S/C13H18N4O4/c18-8-4-9(12(20)21)16-11(19)10-3-1-7-17(10)13-14-5-2-6-15-13/h2,5-6,9-10,18H,1,3-4,7-8H2,(H,16,19)(H,20,21)
InChIKeyYOUUTPAQZQYNOC-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.60
Rot. Bonds6

About 4-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]butanoic acid

4-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]butanoic acid (PubChem CID 61244571) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]butanoic acid
PubChem CID61244571
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name4-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]butanoic acid
SMILESO=C(O)C(CCO)NC(=O)C1CCCN1c1ncccn1
InChIInChI=1S/C13H18N4O4/c18-8-4-9(12(20)21)16-11(19)10-3-1-7-17(10)13-14-5-2-6-15-13/h2,5-6,9-10,18H,1,3-4,7-8H2,(H,16,19)(H,20,21)
InChIKeyYOUUTPAQZQYNOC-UHFFFAOYSA-N
XLogP-0.60
TPSA115.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 54991238
methyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate
CID 43623563
N-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 115770837
N-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 103861720
(2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95302854
N-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 83216321
(2R)-4-hydroxy-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 107825159
(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 96565850
N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide
CID 138041639
N-ethyl-N-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 54878638
(2R)-2-(cyclobutanecarbonylamino)-4-hydroxybutanoic acid
CID 107823219
(2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide
CID 51935919

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]butanoic acid (CID 61244571) is 4-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]butanoic acid is O=C(O)C(CCO)NC(=O)C1CCCN1c1ncccn1.
What is the InChIKey of 4-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]butanoic acid?
The InChIKey is YOUUTPAQZQYNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c18-8-4-9(12(20)21)16-11(19)10-3-1-7-17(10)13-14-5-2-6-15-13/h2,5-6,9-10,18H,1,3-4,7-8H2,(H,16,19)(H,20,21).
What are the key properties of 4-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]butanoic acid?
4-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]butanoic acid has a molecular weight of 294.31 g/mol, XLogP of -0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61244571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).