2-[(2-methoxycyclohexyl)-prop-2-enylamino]acetic acid

C12H21NO3 — CID 106874536

IUPAC2-[(2-methoxycyclohexyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C1CCCCC1OC
InChIInChI=1S/C12H21NO3/c1-3-8-13(9-12(14)15)10-6-4-5-7-11(10)16-2/h3,10-11H,1,4-9H2,2H3,(H,14,15)
InChIKeyQVUWHCMSKWORRB-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.52
Rot. Bonds6

About 2-[(2-methoxycyclohexyl)-prop-2-enylamino]acetic acid

2-[(2-methoxycyclohexyl)-prop-2-enylamino]acetic acid (PubChem CID 106874536) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[(2-methoxycyclohexyl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxycyclohexyl)-prop-2-enylamino]acetic acid
PubChem CID106874536
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[(2-methoxycyclohexyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C1CCCCC1OC
InChIInChI=1S/C12H21NO3/c1-3-8-13(9-12(14)15)10-6-4-5-7-11(10)16-2/h3,10-11H,1,4-9H2,2H3,(H,14,15)
InChIKeyQVUWHCMSKWORRB-UHFFFAOYSA-N
XLogP1.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-methoxycyclohexyl)-prop-2-enylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-hydroxycycloheptyl)-prop-2-enylamino]acetic acid
CID 79275648
2-[(4,4-dimethylcyclohexyl)-prop-2-enylamino]acetic acid
CID 79285257
2-[(2,5-dimethylcyclohexyl)-prop-2-enylamino]acetic acid
CID 79285353
2-[1-azabicyclo[3.2.1]octan-4-yl(prop-2-enyl)amino]acetic acid
CID 105366214
2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid;hydrate
CID 2723844
2-[(5-methyl-2-propan-2-ylcyclohexyl)-prop-2-enylamino]acetic acid
CID 79285316
3-[ethyl-(2-methoxycyclohexyl)amino]-2-methylpropanoic acid
CID 106874487
2-[[(1S,2S)-2-butoxycyclopentyl]-(carboxymethyl)amino]acetic acid
CID 118026795
2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)-prop-2-enylamino]acetic acid
CID 79270389
1-[(2-butylcyclohexyl)-prop-2-enylamino]propan-2-one
CID 170057858
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-prop-2-enylamino]acetic acid
CID 79286200
2-[[2-[bis(hydroperoxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
CID 23594176

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycyclohexyl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(2-methoxycyclohexyl)-prop-2-enylamino]acetic acid (CID 106874536) is 2-[(2-methoxycyclohexyl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(2-methoxycyclohexyl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(2-methoxycyclohexyl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C1CCCCC1OC.
What is the InChIKey of 2-[(2-methoxycyclohexyl)-prop-2-enylamino]acetic acid?
The InChIKey is QVUWHCMSKWORRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-8-13(9-12(14)15)10-6-4-5-7-11(10)16-2/h3,10-11H,1,4-9H2,2H3,(H,14,15).
What are the key properties of 2-[(2-methoxycyclohexyl)-prop-2-enylamino]acetic acid?
2-[(2-methoxycyclohexyl)-prop-2-enylamino]acetic acid has a molecular weight of 227.30 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycyclohexyl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 106874536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).