2-[[(2-cyclopropylpyrimidine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid

C15H21N3O3 — CID 75497816

IUPAC2-[[(2-cyclopropylpyrimidine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)c1ccnc(C2CC2)n1)C(=O)O
InChIInChI=1S/C15H21N3O3/c1-3-15(4-2,14(20)21)9-17-13(19)11-7-8-16-12(18-11)10-5-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyBOWVZIXGEZUWGW-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.97
Rot. Bonds7

About 2-[[(2-cyclopropylpyrimidine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid

2-[[(2-cyclopropylpyrimidine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid (PubChem CID 75497816) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[[(2-cyclopropylpyrimidine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[(2-cyclopropylpyrimidine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid
PubChem CID75497816
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[[(2-cyclopropylpyrimidine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)c1ccnc(C2CC2)n1)C(=O)O
InChIInChI=1S/C15H21N3O3/c1-3-15(4-2,14(20)21)9-17-13(19)11-7-8-16-12(18-11)10-5-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyBOWVZIXGEZUWGW-UHFFFAOYSA-N
XLogP1.97
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(6-chloropyridine-2-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 113308451
2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide
CID 111333190
2-ethyl-2-[(isoquinoline-1-carbonylamino)methyl]butanoic acid
CID 120533419
1-[(2-cyclopropylpyrimidine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 91647052
2-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]pyrimidine-4-carboxamide
CID 138023749
2-ethyl-2-[[(2-methylpyridine-3-carbonyl)amino]methyl]butanoic acid
CID 115429550
2-(3-ethylcyclopentyl)pyrimidine-4-carboxylic acid
CID 65405640
2-cyclobutylpyrimidine-4-carboxylic acid
CID 64985955
2-cyclopropyl-N-[3-[ethyl(methyl)carbamoyl]phenyl]pyrimidine-4-carboxamide
CID 146087726
2-ethyl-2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]butanoic acid
CID 115429586
2-[[(2-bromopyridine-3-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 114037105
2-cyclopropyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-4-carboxamide
CID 111696969

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-cyclopropylpyrimidine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[(2-cyclopropylpyrimidine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid (CID 75497816) is 2-[[(2-cyclopropylpyrimidine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[(2-cyclopropylpyrimidine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[(2-cyclopropylpyrimidine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid is CCC(CC)(CNC(=O)c1ccnc(C2CC2)n1)C(=O)O.
What is the InChIKey of 2-[[(2-cyclopropylpyrimidine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid?
The InChIKey is BOWVZIXGEZUWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-15(4-2,14(20)21)9-17-13(19)11-7-8-16-12(18-11)10-5-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[(2-cyclopropylpyrimidine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid?
2-[[(2-cyclopropylpyrimidine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-cyclopropylpyrimidine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 75497816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).