4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid

C15H28N2O3 — CID 79526469

IUPAC4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)CCN(C)C(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-11(2)8-9-17(3)15(20)16-10-12-4-6-13(7-5-12)14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyXTNCLTRANLFHBQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.56
Rot. Bonds6

About 4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid

4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79526469) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79526469
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)CCN(C)C(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-11(2)8-9-17(3)15(20)16-10-12-4-6-13(7-5-12)14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyXTNCLTRANLFHBQ-UHFFFAOYSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 81037703
2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid
CID 43135716
4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79524949
4-[[(4-amino-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 80545198
2-[4-[methyl(3-methylbutyl)carbamoyl]cyclohexyl]acetic acid
CID 115150971
4-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 102865464
4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 78951224
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
4-[(4-methylsulfinylbutan-2-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 104963958
4-[[[2-methyl-1-(2-methylpropoxy)propoxy]carbonylamino]methyl]cyclohexane-1-carboxylic acid
CID 174548549
3-cyclobutyl-1-methyl-1-(3-methylbutyl)urea
CID 115617736
4-[(2-ethylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 104963976

Frequently Asked Questions

What is the IUPAC name of 4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 79526469) is 4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid is CC(C)CCN(C)C(=O)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is XTNCLTRANLFHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)8-9-17(3)15(20)16-10-12-4-6-13(7-5-12)14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79526469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).