2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid

C10H13N3O3 — CID 136958427

IUPAC2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESCC(Nc1cc(=O)[nH]c(C2CC2)n1)C(=O)O
InChIInChI=1S/C10H13N3O3/c1-5(10(15)16)11-7-4-8(14)13-9(12-7)6-2-3-6/h4-6H,2-3H2,1H3,(H,15,16)(H2,11,12,13,14)
InChIKeyZLWDLHTZMXHQIB-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.53
Rot. Bonds4

About 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid

2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (PubChem CID 136958427) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
PubChem CID136958427
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESCC(Nc1cc(=O)[nH]c(C2CC2)n1)C(=O)O
InChIInChI=1S/C10H13N3O3/c1-5(10(15)16)11-7-4-8(14)13-9(12-7)6-2-3-6/h4-6H,2-3H2,1H3,(H,15,16)(H2,11,12,13,14)
InChIKeyZLWDLHTZMXHQIB-UHFFFAOYSA-N
XLogP0.53
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959231
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 136959292
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 136734032
2-cyclopropyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
CID 136949434
2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958335
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid
CID 136958336
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid
CID 136958339
3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958371
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958372
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958379
3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958404
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958405

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (CID 136958427) is 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is CC(Nc1cc(=O)[nH]c(C2CC2)n1)C(=O)O.
What is the InChIKey of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is ZLWDLHTZMXHQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-5(10(15)16)11-7-4-8(14)13-9(12-7)6-2-3-6/h4-6H,2-3H2,1H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 136958427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).