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

C13H19N3O3 — CID 136958534

IUPAC2-[butan-2-yl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H19N3O3/c1-3-8(2)16(7-12(18)19)10-6-11(17)15-13(14-10)9-4-5-9/h6,8-9H,3-5,7H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyYMORTSFGLRSHKJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.34
Rot. Bonds6

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

2-[butan-2-yl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958534) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[butan-2-yl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958534
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[butan-2-yl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H19N3O3/c1-3-8(2)16(7-12(18)19)10-6-11(17)15-13(14-10)9-4-5-9/h6,8-9H,3-5,7H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyYMORTSFGLRSHKJ-UHFFFAOYSA-N
XLogP1.34
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid
CID 136958564
2-cyclopropyl-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136989571
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
CID 136958657
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 137009112
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 137007673
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007497
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 137009357
4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 137009734
2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766326
2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136978098
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 136959362
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 136976806

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958534) is 2-[butan-2-yl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is CCC(C)N(CC(=O)O)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-[butan-2-yl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is YMORTSFGLRSHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-8(2)16(7-12(18)19)10-6-11(17)15-13(14-10)9-4-5-9/h6,8-9H,3-5,7H2,1-2H3,(H,18,19)(H,14,15,17).
What are the key properties of 2-[butan-2-yl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-[butan-2-yl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).