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

C10H13N3O3 — CID 136959033

IUPAC2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESCC(Nc1cc(=O)[nH]cn1)(C(=O)O)C1CC1
InChIInChI=1S/C10H13N3O3/c1-10(9(15)16,6-2-3-6)13-7-4-8(14)12-5-11-7/h4-6H,2-3H2,1H3,(H,15,16)(H2,11,12,13,14)
InChIKeyDRNIETUDDWGTSW-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.44
Rot. Bonds4

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

2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (PubChem CID 136959033) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
PubChem CID136959033
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESCC(Nc1cc(=O)[nH]cn1)(C(=O)O)C1CC1
InChIInChI=1S/C10H13N3O3/c1-10(9(15)16,6-2-3-6)13-7-4-8(14)12-5-11-7/h4-6H,2-3H2,1H3,(H,15,16)(H2,11,12,13,14)
InChIKeyDRNIETUDDWGTSW-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (CID 136959033) is 2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is CC(Nc1cc(=O)[nH]cn1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is DRNIETUDDWGTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-10(9(15)16,6-2-3-6)13-7-4-8(14)12-5-11-7/h4-6H,2-3H2,1H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 136959033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).