2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid

C15H28N2O3 — CID 62406363

IUPAC2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid
SMILESCCC(NC(=O)NC(C(=O)O)C(C)C)C1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-4-12(11-8-6-5-7-9-11)16-15(20)17-13(10(2)3)14(18)19/h10-13H,4-9H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyOAPSXPKRQZSGFE-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.75
Rot. Bonds6

About 2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid

2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid (PubChem CID 62406363) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid
PubChem CID62406363
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid
SMILESCCC(NC(=O)NC(C(=O)O)C(C)C)C1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-4-12(11-8-6-5-7-9-11)16-15(20)17-13(10(2)3)14(18)19/h10-13H,4-9H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyOAPSXPKRQZSGFE-UHFFFAOYSA-N
XLogP2.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid
CID 78989662
1-(1-cyclopropylpropyl)-3-propan-2-ylurea
CID 68521863
(2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid
CID 2050014
(2R)-2-(1-cyclobutylethylcarbamoylamino)-3-methylbutanoic acid
CID 104871393
2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid
CID 62406894
N-(1-cyclohexylpropyl)acetamide
CID 45119320
2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid
CID 62405641
2-(aminomethyl)-N-(1-cyclohexylpropyl)-3-methylbutanamide
CID 62406666
2-(1-cyclohexylpropylcarbamoylamino)oxyacetic acid
CID 113498344
2-bromo-N-(1-cyclohexylpropyl)propanamide
CID 107905149
2-(cyclohexylcarbamoylamino)-3-methylpentanoic acid
CID 4269687
2-chloro-N-(1-cyclohexylpropyl)acetamide
CID 62407197

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid?
The IUPAC name of 2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid (CID 62406363) is 2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid.
What is the SMILES notation for 2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid?
The canonical SMILES for 2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid is CCC(NC(=O)NC(C(=O)O)C(C)C)C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid?
The InChIKey is OAPSXPKRQZSGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-12(11-8-6-5-7-9-11)16-15(20)17-13(10(2)3)14(18)19/h10-13H,4-9H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid?
2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid is sourced from PubChem (CID 62406363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).