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

C13H17N3O3 — CID 136958478

IUPAC2-[cyclopropylmethyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H17N3O3/c17-11-5-10(14-13(15-11)9-3-4-9)16(7-12(18)19)6-8-1-2-8/h5,8-9H,1-4,6-7H2,(H,18,19)(H,14,15,17)
InChIKeyUTMVSHANFLWVCG-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.95
Rot. Bonds6

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

2-[cyclopropylmethyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958478) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958478
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[cyclopropylmethyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H17N3O3/c17-11-5-10(14-13(15-11)9-3-4-9)16(7-12(18)19)6-8-1-2-8/h5,8-9H,1-4,6-7H2,(H,18,19)(H,14,15,17)
InChIKeyUTMVSHANFLWVCG-UHFFFAOYSA-N
XLogP0.95
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958478) is 2-[cyclopropylmethyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is O=C(O)CN(CC1CC1)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-[cyclopropylmethyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is UTMVSHANFLWVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-11-5-10(14-13(15-11)9-3-4-9)16(7-12(18)19)6-8-1-2-8/h5,8-9H,1-4,6-7H2,(H,18,19)(H,14,15,17).
What are the key properties of 2-[cyclopropylmethyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-[cyclopropylmethyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 263.30 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).