1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid

C15H27NO3 — CID 114282150

IUPAC1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)C(C(=O)NC1(C(=O)O)CCCCC1)C(C)C
InChIInChI=1S/C15H27NO3/c1-10(2)12(11(3)4)13(17)16-15(14(18)19)8-6-5-7-9-15/h10-12H,5-9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyNQPXREMYNMEXKS-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.82
Rot. Bonds5

About 1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid

1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 114282150) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID114282150
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)C(C(=O)NC1(C(=O)O)CCCCC1)C(C)C
InChIInChI=1S/C15H27NO3/c1-10(2)12(11(3)4)13(17)16-15(14(18)19)8-6-5-7-9-15/h10-12H,5-9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyNQPXREMYNMEXKS-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
CID 10632420
1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid
CID 59902421
1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 76894061
1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid
CID 115282657
1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
CID 61158693
1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 43358914
1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 119132497
1-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61202704
1-(2-methylsulfonylpropanoylamino)cyclobutane-1-carboxylic acid
CID 115910149
N-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide
CID 114282347
1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid
CID 82984418
1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid
CID 119176447

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid (CID 114282150) is 1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid is CC(C)C(C(=O)NC1(C(=O)O)CCCCC1)C(C)C.
What is the InChIKey of 1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is NQPXREMYNMEXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-10(2)12(11(3)4)13(17)16-15(14(18)19)8-6-5-7-9-15/h10-12H,5-9H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid?
1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114282150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).