4-(cyclohexylamino)-2-methylbut-2-enoic acid

C11H19NO2 — CID 103230815

IUPAC4-(cyclohexylamino)-2-methylbut-2-enoic acid
SMILESCC(=CCNC1CCCCC1)C(=O)O
InChIInChI=1S/C11H19NO2/c1-9(11(13)14)7-8-12-10-5-3-2-4-6-10/h7,10,12H,2-6,8H2,1H3,(H,13,14)
InChIKeyUEUYXSCMPSIMKD-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.94
Rot. Bonds4

About 4-(cyclohexylamino)-2-methylbut-2-enoic acid

4-(cyclohexylamino)-2-methylbut-2-enoic acid (PubChem CID 103230815) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(cyclohexylamino)-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name4-(cyclohexylamino)-2-methylbut-2-enoic acid
PubChem CID103230815
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-(cyclohexylamino)-2-methylbut-2-enoic acid
SMILESCC(=CCNC1CCCCC1)C(=O)O
InChIInChI=1S/C11H19NO2/c1-9(11(13)14)7-8-12-10-5-3-2-4-6-10/h7,10,12H,2-6,8H2,1H3,(H,13,14)
InChIKeyUEUYXSCMPSIMKD-UHFFFAOYSA-N
XLogP1.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-2-methylbut-2-enoic acid?
The IUPAC name of 4-(cyclohexylamino)-2-methylbut-2-enoic acid (CID 103230815) is 4-(cyclohexylamino)-2-methylbut-2-enoic acid.
What is the SMILES notation for 4-(cyclohexylamino)-2-methylbut-2-enoic acid?
The canonical SMILES for 4-(cyclohexylamino)-2-methylbut-2-enoic acid is CC(=CCNC1CCCCC1)C(=O)O.
What is the InChIKey of 4-(cyclohexylamino)-2-methylbut-2-enoic acid?
The InChIKey is UEUYXSCMPSIMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(11(13)14)7-8-12-10-5-3-2-4-6-10/h7,10,12H,2-6,8H2,1H3,(H,13,14).
What are the key properties of 4-(cyclohexylamino)-2-methylbut-2-enoic acid?
4-(cyclohexylamino)-2-methylbut-2-enoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-2-methylbut-2-enoic acid is sourced from PubChem (CID 103230815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).