3-[(2-hydroxycyclohexyl)carbamoylamino]butanoic acid

C11H20N2O4 — CID 55063944

IUPAC3-[(2-hydroxycyclohexyl)carbamoylamino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)NC1CCCCC1O
InChIInChI=1S/C11H20N2O4/c1-7(6-10(15)16)12-11(17)13-8-4-2-3-5-9(8)14/h7-9,14H,2-6H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyILYGUWXFKHJMSI-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.45
Rot. Bonds4

About 3-[(2-hydroxycyclohexyl)carbamoylamino]butanoic acid

3-[(2-hydroxycyclohexyl)carbamoylamino]butanoic acid (PubChem CID 55063944) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[(2-hydroxycyclohexyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name3-[(2-hydroxycyclohexyl)carbamoylamino]butanoic acid
PubChem CID55063944
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[(2-hydroxycyclohexyl)carbamoylamino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)NC1CCCCC1O
InChIInChI=1S/C11H20N2O4/c1-7(6-10(15)16)12-11(17)13-8-4-2-3-5-9(8)14/h7-9,14H,2-6H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyILYGUWXFKHJMSI-UHFFFAOYSA-N
XLogP0.45
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxycyclohexyl)carbamoylamino]butanoic acid?
The IUPAC name of 3-[(2-hydroxycyclohexyl)carbamoylamino]butanoic acid (CID 55063944) is 3-[(2-hydroxycyclohexyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 3-[(2-hydroxycyclohexyl)carbamoylamino]butanoic acid?
The canonical SMILES for 3-[(2-hydroxycyclohexyl)carbamoylamino]butanoic acid is CC(CC(=O)O)NC(=O)NC1CCCCC1O.
What is the InChIKey of 3-[(2-hydroxycyclohexyl)carbamoylamino]butanoic acid?
The InChIKey is ILYGUWXFKHJMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(6-10(15)16)12-11(17)13-8-4-2-3-5-9(8)14/h7-9,14H,2-6H2,1H3,(H,15,16)(H2,12,13,17).
What are the key properties of 3-[(2-hydroxycyclohexyl)carbamoylamino]butanoic acid?
3-[(2-hydroxycyclohexyl)carbamoylamino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.45, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxycyclohexyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 55063944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).