1-[(6-tert-butyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid

C15H21N3O4 — CID 86284505

IUPAC1-[(6-tert-butyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)NC2(C(=O)O)CCCC2)nc(=O)[nH]1
InChIInChI=1S/C15H21N3O4/c1-14(2,3)10-8-9(16-13(22)17-10)11(19)18-15(12(20)21)6-4-5-7-15/h8H,4-7H2,1-3H3,(H,18,19)(H,20,21)(H,16,17,22)
InChIKeyAMPQZQWTGNTHNI-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.19
Rot. Bonds3

About 1-[(6-tert-butyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(6-tert-butyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 86284505) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[(6-tert-butyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-tert-butyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID86284505
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name1-[(6-tert-butyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)NC2(C(=O)O)CCCC2)nc(=O)[nH]1
InChIInChI=1S/C15H21N3O4/c1-14(2,3)10-8-9(16-13(22)17-10)11(19)18-15(12(20)21)6-4-5-7-15/h8H,4-7H2,1-3H3,(H,18,19)(H,20,21)(H,16,17,22)
InChIKeyAMPQZQWTGNTHNI-UHFFFAOYSA-N
XLogP1.19
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43172484
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpentanoic acid
CID 43618864
1-(4,6-Dimethyl-2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid
CID 114992281

Frequently Asked Questions

What is the IUPAC name of 1-[(6-tert-butyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(6-tert-butyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 86284505) is 1-[(6-tert-butyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-tert-butyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(6-tert-butyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid is CC(C)(C)c1cc(C(=O)NC2(C(=O)O)CCCC2)nc(=O)[nH]1.
What is the InChIKey of 1-[(6-tert-butyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is AMPQZQWTGNTHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-14(2,3)10-8-9(16-13(22)17-10)11(19)18-15(12(20)21)6-4-5-7-15/h8H,4-7H2,1-3H3,(H,18,19)(H,20,21)(H,16,17,22).
What are the key properties of 1-[(6-tert-butyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(6-tert-butyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-tert-butyl-2-oxo-1H-pyrimidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 86284505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).