2-[(cyclohexylamino)methyl]prop-2-enoic acid

C10H17NO2 — CID 103230838

IUPAC2-[(cyclohexylamino)methyl]prop-2-enoic acid
SMILESC=C(CNC1CCCCC1)C(=O)O
InChIInChI=1S/C10H17NO2/c1-8(10(12)13)7-11-9-5-3-2-4-6-9/h9,11H,1-7H2,(H,12,13)
InChIKeyCCPJJONQLPUDNN-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.55
Rot. Bonds4

About 2-[(cyclohexylamino)methyl]prop-2-enoic acid

2-[(cyclohexylamino)methyl]prop-2-enoic acid (PubChem CID 103230838) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[(cyclohexylamino)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(cyclohexylamino)methyl]prop-2-enoic acid
PubChem CID103230838
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-[(cyclohexylamino)methyl]prop-2-enoic acid
SMILESC=C(CNC1CCCCC1)C(=O)O
InChIInChI=1S/C10H17NO2/c1-8(10(12)13)7-11-9-5-3-2-4-6-9/h9,11H,1-7H2,(H,12,13)
InChIKeyCCPJJONQLPUDNN-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.55
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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Related Compounds

4-(Cyclohexylamino)-2-methylidenebutanoic acid
CID 69651758
2-[(Pentylamino)methyl]prop-2-enoic acid
CID 87503709
2-[(Heptylamino)methyl]prop-2-enoic acid
CID 87503931
2-[(Hexylamino)methyl]prop-2-enoic acid
CID 87504774
2-[(Octylamino)methyl]prop-2-enoic acid
CID 87504841
2-[(Pentan-3-ylamino)methyl]prop-2-enoic acid
CID 103231120
3-[(2-Methylidenecyclohexyl)amino]propanoic acid
CID 123385991
Methyl 2-[(cyclohexylamino)methyl]prop-2-enoate
CID 140295174
N-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid
CID 175055430
2-[(Cyclohexylamino)methyl]oct-2-enoic acid
CID 175056111
2-[(Dicyclohexylamino)methyl]prop-2-enoic acid
CID 10244618
2-[[Cyclohexyl(ethyl)amino]methyl]prop-2-enoic acid
CID 64113751

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclohexylamino)methyl]prop-2-enoic acid?
The IUPAC name of 2-[(cyclohexylamino)methyl]prop-2-enoic acid (CID 103230838) is 2-[(cyclohexylamino)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[(cyclohexylamino)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[(cyclohexylamino)methyl]prop-2-enoic acid is C=C(CNC1CCCCC1)C(=O)O.
What is the InChIKey of 2-[(cyclohexylamino)methyl]prop-2-enoic acid?
The InChIKey is CCPJJONQLPUDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(10(12)13)7-11-9-5-3-2-4-6-9/h9,11H,1-7H2,(H,12,13).
What are the key properties of 2-[(cyclohexylamino)methyl]prop-2-enoic acid?
2-[(cyclohexylamino)methyl]prop-2-enoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclohexylamino)methyl]prop-2-enoic acid is sourced from PubChem (CID 103230838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).