4,4-dimethyl-2-[[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid

C15H25N3O3 — CID 136857999

IUPAC4,4-dimethyl-2-[[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid
SMILESCC(C)c1nc(NCC(CC(C)(C)C)C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O3/c1-9(2)13-17-11(6-12(19)18-13)16-8-10(14(20)21)7-15(3,4)5/h6,9-10H,7-8H2,1-5H3,(H,20,21)(H2,16,17,18,19)
InChIKeyFQVNLKATALCYSS-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.44
Rot. Bonds6

About 4,4-dimethyl-2-[[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid

4,4-dimethyl-2-[[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid (PubChem CID 136857999) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid
PubChem CID136857999
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name4,4-dimethyl-2-[[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid
SMILESCC(C)c1nc(NCC(CC(C)(C)C)C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O3/c1-9(2)13-17-11(6-12(19)18-13)16-8-10(14(20)21)7-15(3,4)5/h6,9-10H,7-8H2,1-5H3,(H,20,21)(H2,16,17,18,19)
InChIKeyFQVNLKATALCYSS-UHFFFAOYSA-N
XLogP2.44
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-2-[[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 136792252
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 136792253
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 136792255
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 136792257
2-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid
CID 136857997
4,4-dimethyl-2-[[(6-oxo-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid
CID 136858003
2-[[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid
CID 136858005
(3S)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914109
(3R)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914110
4,4-dimethyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid
CID 136932111
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136958323
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136958324

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid (CID 136857999) is 4,4-dimethyl-2-[[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid is CC(C)c1nc(NCC(CC(C)(C)C)C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 4,4-dimethyl-2-[[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid?
The InChIKey is FQVNLKATALCYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-9(2)13-17-11(6-12(19)18-13)16-8-10(14(20)21)7-15(3,4)5/h6,9-10H,7-8H2,1-5H3,(H,20,21)(H2,16,17,18,19).
What are the key properties of 4,4-dimethyl-2-[[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid?
4,4-dimethyl-2-[[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid is sourced from PubChem (CID 136857999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).