3-[(4-carbamoylcyclohexyl)amino]butanoic acid

C11H20N2O3 — CID 61044219

IUPAC3-[(4-carbamoylcyclohexyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C11H20N2O3/c1-7(6-10(14)15)13-9-4-2-8(3-5-9)11(12)16/h7-9,13H,2-6H2,1H3,(H2,12,16)(H,14,15)
InChIKeyTXCPUQLDEZWOPY-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.48
Rot. Bonds5

About 3-[(4-carbamoylcyclohexyl)amino]butanoic acid

3-[(4-carbamoylcyclohexyl)amino]butanoic acid (PubChem CID 61044219) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(4-carbamoylcyclohexyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(4-carbamoylcyclohexyl)amino]butanoic acid
PubChem CID61044219
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[(4-carbamoylcyclohexyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C11H20N2O3/c1-7(6-10(14)15)13-9-4-2-8(3-5-9)11(12)16/h7-9,13H,2-6H2,1H3,(H2,12,16)(H,14,15)
InChIKeyTXCPUQLDEZWOPY-UHFFFAOYSA-N
XLogP0.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-carbamoylcyclohexyl)amino]butanoic acid?
The IUPAC name of 3-[(4-carbamoylcyclohexyl)amino]butanoic acid (CID 61044219) is 3-[(4-carbamoylcyclohexyl)amino]butanoic acid.
What is the SMILES notation for 3-[(4-carbamoylcyclohexyl)amino]butanoic acid?
The canonical SMILES for 3-[(4-carbamoylcyclohexyl)amino]butanoic acid is CC(CC(=O)O)NC1CCC(C(N)=O)CC1.
What is the InChIKey of 3-[(4-carbamoylcyclohexyl)amino]butanoic acid?
The InChIKey is TXCPUQLDEZWOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(6-10(14)15)13-9-4-2-8(3-5-9)11(12)16/h7-9,13H,2-6H2,1H3,(H2,12,16)(H,14,15).
What are the key properties of 3-[(4-carbamoylcyclohexyl)amino]butanoic acid?
3-[(4-carbamoylcyclohexyl)amino]butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-carbamoylcyclohexyl)amino]butanoic acid is sourced from PubChem (CID 61044219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).