2-[[(2-ethylcyclohexyl)amino]methyl]prop-2-enoic acid

C12H21NO2 — CID 103246772

IUPAC2-[[(2-ethylcyclohexyl)amino]methyl]prop-2-enoic acid
SMILESC=C(CNC1CCCCC1CC)C(=O)O
InChIInChI=1S/C12H21NO2/c1-3-10-6-4-5-7-11(10)13-8-9(2)12(14)15/h10-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyUZQSOKGHRXDLOE-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.19
Rot. Bonds5

About 2-[[(2-ethylcyclohexyl)amino]methyl]prop-2-enoic acid

2-[[(2-ethylcyclohexyl)amino]methyl]prop-2-enoic acid (PubChem CID 103246772) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-[[(2-ethylcyclohexyl)amino]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[(2-ethylcyclohexyl)amino]methyl]prop-2-enoic acid
PubChem CID103246772
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-[[(2-ethylcyclohexyl)amino]methyl]prop-2-enoic acid
SMILESC=C(CNC1CCCCC1CC)C(=O)O
InChIInChI=1S/C12H21NO2/c1-3-10-6-4-5-7-11(10)13-8-9(2)12(14)15/h10-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyUZQSOKGHRXDLOE-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.19
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

2-[[(2,3-dimethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103234709
2-[(cycloheptylamino)methyl]prop-2-enoic acid
CID 103237247
2-ethyl-N-prop-2-enylcyclohexan-1-amine
CID 62142413
3-[(2-ethylcyclohexyl)amino]propanamide
CID 61466861
2-[(2-ethylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 54961790
2-[[(2,3-dimethylcyclopentyl)amino]methyl]prop-2-enoic acid
CID 103254779
4-[[(2-ethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499307
2-[(2-ethylcyclohexyl)amino]-N-pentan-2-ylacetamide
CID 54957422
2-[(cyclobutylamino)methyl]prop-2-enoic acid
CID 103250129
N-(2,3-dichloroprop-2-enyl)-2-ethylcyclohexan-1-amine
CID 79167923
2-[[(3-ethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103253788
N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-ethylcyclohexyl)amino]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[(2-ethylcyclohexyl)amino]methyl]prop-2-enoic acid (CID 103246772) is 2-[[(2-ethylcyclohexyl)amino]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[(2-ethylcyclohexyl)amino]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[(2-ethylcyclohexyl)amino]methyl]prop-2-enoic acid is C=C(CNC1CCCCC1CC)C(=O)O.
What is the InChIKey of 2-[[(2-ethylcyclohexyl)amino]methyl]prop-2-enoic acid?
The InChIKey is UZQSOKGHRXDLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-10-6-4-5-7-11(10)13-8-9(2)12(14)15/h10-11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[[(2-ethylcyclohexyl)amino]methyl]prop-2-enoic acid?
2-[[(2-ethylcyclohexyl)amino]methyl]prop-2-enoic acid has a molecular weight of 211.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethylcyclohexyl)amino]methyl]prop-2-enoic acid is sourced from PubChem (CID 103246772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).