(2R)-2-(pyrimidine-5-carbonylamino)propanoic acid

C8H9N3O3 — CID 102921462

IUPAC(2R)-2-(pyrimidine-5-carbonylamino)propanoic acid
SMILESC[C@@H](NC(=O)c1cncnc1)C(=O)O
InChIInChI=1S/C8H9N3O3/c1-5(8(13)14)11-7(12)6-2-9-4-10-3-6/h2-5H,1H3,(H,11,12)(H,13,14)/t5-/m1/s1
InChIKeyLYOVTQKUEFTLCB-RXMQYKEDSA-N
MW195.18 g/mol
LogP-0.32
Rot. Bonds3

About (2R)-2-(pyrimidine-5-carbonylamino)propanoic acid

(2R)-2-(pyrimidine-5-carbonylamino)propanoic acid (PubChem CID 102921462) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is (2R)-2-(pyrimidine-5-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(pyrimidine-5-carbonylamino)propanoic acid
PubChem CID102921462
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name(2R)-2-(pyrimidine-5-carbonylamino)propanoic acid
SMILESC[C@@H](NC(=O)c1cncnc1)C(=O)O
InChIInChI=1S/C8H9N3O3/c1-5(8(13)14)11-7(12)6-2-9-4-10-3-6/h2-5H,1H3,(H,11,12)(H,13,14)/t5-/m1/s1
InChIKeyLYOVTQKUEFTLCB-RXMQYKEDSA-N
XLogP-0.32
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloropyrimidine-5-carbonyl)amino]propanoic acid
CID 127019223
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
CID 28979301
2-[[4-(1-carboxyethylcarbamoyl)benzoyl]amino]propanoic acid
CID 4130949
(2R)-2-[[4-[[(1R)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571784
N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide
CID 102922170
(2R)-4-hydroxy-2-(pyrimidine-5-carbonylamino)butanoic acid
CID 107823506
N-(1-chloropropan-2-yl)pyrimidine-5-carboxamide
CID 102922755
N-(1-cyanoethyl)pyrimidine-5-carboxamide
CID 104626690
N-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide
CID 102922368
(2R)-2-(pyrimidine-5-carbonylamino)butanedioic acid
CID 102921618
N-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide
CID 104629427
N-(1-hydroxy-4-methylpentan-2-yl)pyrimidine-5-carboxamide
CID 104627101

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(pyrimidine-5-carbonylamino)propanoic acid?
The IUPAC name of (2R)-2-(pyrimidine-5-carbonylamino)propanoic acid (CID 102921462) is (2R)-2-(pyrimidine-5-carbonylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(pyrimidine-5-carbonylamino)propanoic acid?
The canonical SMILES for (2R)-2-(pyrimidine-5-carbonylamino)propanoic acid is C[C@@H](NC(=O)c1cncnc1)C(=O)O.
What is the InChIKey of (2R)-2-(pyrimidine-5-carbonylamino)propanoic acid?
The InChIKey is LYOVTQKUEFTLCB-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-5(8(13)14)11-7(12)6-2-9-4-10-3-6/h2-5H,1H3,(H,11,12)(H,13,14)/t5-/m1/s1.
What are the key properties of (2R)-2-(pyrimidine-5-carbonylamino)propanoic acid?
(2R)-2-(pyrimidine-5-carbonylamino)propanoic acid has a molecular weight of 195.18 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(pyrimidine-5-carbonylamino)propanoic acid is sourced from PubChem (CID 102921462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).