3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid

C10H13N3O3 — CID 136958372

IUPAC3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESO=C(O)CCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C10H13N3O3/c14-8-5-7(11-4-3-9(15)16)12-10(13-8)6-1-2-6/h5-6H,1-4H2,(H,15,16)(H2,11,12,13,14)
InChIKeyBIUPVZMKXJLJMM-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.53
Rot. Bonds5

About 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid

3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (PubChem CID 136958372) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
PubChem CID136958372
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESO=C(O)CCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C10H13N3O3/c14-8-5-7(11-4-3-9(15)16)12-10(13-8)6-1-2-6/h5-6H,1-4H2,(H,15,16)(H2,11,12,13,14)
InChIKeyBIUPVZMKXJLJMM-UHFFFAOYSA-N
XLogP0.53
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (CID 136958372) is 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is O=C(O)CCNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is BIUPVZMKXJLJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-8-5-7(11-4-3-9(15)16)12-10(13-8)6-1-2-6/h5-6H,1-4H2,(H,15,16)(H2,11,12,13,14).
What are the key properties of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 136958372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).