(2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid

C12H16N4O3 — CID 54991238

IUPAC(2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)C1CCCN1c1ncccn1)C(=O)O
InChIInChI=1S/C12H16N4O3/c1-8(11(18)19)15-10(17)9-4-2-7-16(9)12-13-5-3-6-14-12/h3,5-6,8-9H,2,4,7H2,1H3,(H,15,17)(H,18,19)/t8-,9?/m1/s1
InChIKeyDEBRHNGYQVPAFH-VEDVMXKPSA-N
MW264.28 g/mol
LogP0.03
Rot. Bonds4

About (2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid

(2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid (PubChem CID 54991238) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid
PubChem CID54991238
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name(2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)C1CCCN1c1ncccn1)C(=O)O
InChIInChI=1S/C12H16N4O3/c1-8(11(18)19)15-10(17)9-4-2-7-16(9)12-13-5-3-6-14-12/h3,5-6,8-9H,2,4,7H2,1H3,(H,15,17)(H,18,19)/t8-,9?/m1/s1
InChIKeyDEBRHNGYQVPAFH-VEDVMXKPSA-N
XLogP0.03
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 115770837
4-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 61244571
methyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate
CID 43623563
(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 96565850
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
N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide
CID 138041639
N-(5-methyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 63818386
N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 103801069
2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119349092
(2R)-2-[(1-propylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119369844

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid (CID 54991238) is (2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid is C[C@@H](NC(=O)C1CCCN1c1ncccn1)C(=O)O.
What is the InChIKey of (2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid?
The InChIKey is DEBRHNGYQVPAFH-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8(11(18)19)15-10(17)9-4-2-7-16(9)12-13-5-3-6-14-12/h3,5-6,8-9H,2,4,7H2,1H3,(H,15,17)(H,18,19)/t8-,9?/m1/s1.
What are the key properties of (2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid?
(2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid has a molecular weight of 264.28 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 54991238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).