2-(cyclohexylcarbamoylamino)butanoic acid

C11H20N2O3 — CID 43469984

IUPAC2-(cyclohexylcarbamoylamino)butanoic acid
SMILESCCC(NC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-9(10(14)15)13-11(16)12-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyOZHGWLCCCVTYJH-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.48
Rot. Bonds4

About 2-(cyclohexylcarbamoylamino)butanoic acid

2-(cyclohexylcarbamoylamino)butanoic acid (PubChem CID 43469984) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(cyclohexylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2-(cyclohexylcarbamoylamino)butanoic acid
PubChem CID43469984
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-(cyclohexylcarbamoylamino)butanoic acid
SMILESCCC(NC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-9(10(14)15)13-11(16)12-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyOZHGWLCCCVTYJH-UHFFFAOYSA-N
XLogP1.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid
CID 114005381
2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid
CID 62478798
2-(cyclohexylcarbamoylamino)-3-methylpentanoic acid
CID 4269687
(2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62413842
2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62414420
(2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid
CID 107838293
(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid
CID 107830466
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
2-[(1,1-dioxothiolan-3-yl)carbamoylamino]butanoic acid
CID 61181320
2-(cyclopentylamino)butanoic acid
CID 60998249
(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 79401646

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylcarbamoylamino)butanoic acid?
The IUPAC name of 2-(cyclohexylcarbamoylamino)butanoic acid (CID 43469984) is 2-(cyclohexylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2-(cyclohexylcarbamoylamino)butanoic acid?
The canonical SMILES for 2-(cyclohexylcarbamoylamino)butanoic acid is CCC(NC(=O)NC1CCCCC1)C(=O)O.
What is the InChIKey of 2-(cyclohexylcarbamoylamino)butanoic acid?
The InChIKey is OZHGWLCCCVTYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-9(10(14)15)13-11(16)12-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-(cyclohexylcarbamoylamino)butanoic acid?
2-(cyclohexylcarbamoylamino)butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylcarbamoylamino)butanoic acid is sourced from PubChem (CID 43469984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).