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

C10H13N3O3 — CID 136958491

IUPAC3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESO=C(O)CCN(c1cc(=O)[nH]cn1)C1CC1
InChIInChI=1S/C10H13N3O3/c14-9-5-8(11-6-12-9)13(7-1-2-7)4-3-10(15)16/h5-7H,1-4H2,(H,15,16)(H,11,12,14)
InChIKeyVOPAWPSVSZGDND-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.21
Rot. Bonds5

About 3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid

3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (PubChem CID 136958491) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
PubChem CID136958491
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESO=C(O)CCN(c1cc(=O)[nH]cn1)C1CC1
InChIInChI=1S/C10H13N3O3/c14-9-5-8(11-6-12-9)13(7-1-2-7)4-3-10(15)16/h5-7H,1-4H2,(H,15,16)(H,11,12,14)
InChIKeyVOPAWPSVSZGDND-UHFFFAOYSA-N
XLogP0.21
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (CID 136958491) is 3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is O=C(O)CCN(c1cc(=O)[nH]cn1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is VOPAWPSVSZGDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9-5-8(11-6-12-9)13(7-1-2-7)4-3-10(15)16/h5-7H,1-4H2,(H,15,16)(H,11,12,14).
What are the key properties of 3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 136958491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).