3-[cyclopropylmethyl-(2,4-dimethylpyrimidine-5-carbonyl)amino]propanoic acid

C14H19N3O3 — CID 154741428

IUPAC3-[cyclopropylmethyl-(2,4-dimethylpyrimidine-5-carbonyl)amino]propanoic acid
SMILESCc1ncc(C(=O)N(CCC(=O)O)CC2CC2)c(C)n1
InChIInChI=1S/C14H19N3O3/c1-9-12(7-15-10(2)16-9)14(20)17(6-5-13(18)19)8-11-3-4-11/h7,11H,3-6,8H2,1-2H3,(H,18,19)
InChIKeyKKBABYBHSHICFA-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.42
Rot. Bonds6

About 3-[cyclopropylmethyl-(2,4-dimethylpyrimidine-5-carbonyl)amino]propanoic acid

3-[cyclopropylmethyl-(2,4-dimethylpyrimidine-5-carbonyl)amino]propanoic acid (PubChem CID 154741428) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[cyclopropylmethyl-(2,4-dimethylpyrimidine-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropylmethyl-(2,4-dimethylpyrimidine-5-carbonyl)amino]propanoic acid
PubChem CID154741428
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-[cyclopropylmethyl-(2,4-dimethylpyrimidine-5-carbonyl)amino]propanoic acid
SMILESCc1ncc(C(=O)N(CCC(=O)O)CC2CC2)c(C)n1
InChIInChI=1S/C14H19N3O3/c1-9-12(7-15-10(2)16-9)14(20)17(6-5-13(18)19)8-11-3-4-11/h7,11H,3-6,8H2,1-2H3,(H,18,19)
InChIKeyKKBABYBHSHICFA-UHFFFAOYSA-N
XLogP1.42
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,2,4-tetramethylpyrimidine-5-carboxamide
CID 126992090
5-bromo-N-(2-cyanoethyl)-N-(cyclopropylmethyl)-2-methylpyrimidine-4-carboxamide
CID 86802467
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595
4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid
CID 120534940
3-[cyclopropylmethyl-(4-formylbenzoyl)amino]propanoic acid
CID 22502304
N,2,4-trimethyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-5-carboxamide
CID 129335641
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124693343
N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide
CID 66877554
3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124699136
3-[cyclopropylmethyl-(2-methoxyacetyl)amino]propanoic acid
CID 115730548
2-cyclopropyl-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]acetic acid
CID 120521227
N-butyl-N-[(4-fluorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 74240716

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl-(2,4-dimethylpyrimidine-5-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropylmethyl-(2,4-dimethylpyrimidine-5-carbonyl)amino]propanoic acid (CID 154741428) is 3-[cyclopropylmethyl-(2,4-dimethylpyrimidine-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropylmethyl-(2,4-dimethylpyrimidine-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropylmethyl-(2,4-dimethylpyrimidine-5-carbonyl)amino]propanoic acid is Cc1ncc(C(=O)N(CCC(=O)O)CC2CC2)c(C)n1.
What is the InChIKey of 3-[cyclopropylmethyl-(2,4-dimethylpyrimidine-5-carbonyl)amino]propanoic acid?
The InChIKey is KKBABYBHSHICFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-12(7-15-10(2)16-9)14(20)17(6-5-13(18)19)8-11-3-4-11/h7,11H,3-6,8H2,1-2H3,(H,18,19).
What are the key properties of 3-[cyclopropylmethyl-(2,4-dimethylpyrimidine-5-carbonyl)amino]propanoic acid?
3-[cyclopropylmethyl-(2,4-dimethylpyrimidine-5-carbonyl)amino]propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl-(2,4-dimethylpyrimidine-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 154741428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).