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

C12H21NO3 — CID 79275648

IUPAC2-[(2-hydroxycycloheptyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C1CCCCCC1O
InChIInChI=1S/C12H21NO3/c1-2-8-13(9-12(15)16)10-6-4-3-5-7-11(10)14/h2,10-11,14H,1,3-9H2,(H,15,16)
InChIKeyZRFDVBTXVZYHHI-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.25
Rot. Bonds5

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

2-[(2-hydroxycycloheptyl)-prop-2-enylamino]acetic acid (PubChem CID 79275648) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[(2-hydroxycycloheptyl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxycycloheptyl)-prop-2-enylamino]acetic acid
PubChem CID79275648
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[(2-hydroxycycloheptyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C1CCCCCC1O
InChIInChI=1S/C12H21NO3/c1-2-8-13(9-12(15)16)10-6-4-3-5-7-11(10)14/h2,10-11,14H,1,3-9H2,(H,15,16)
InChIKeyZRFDVBTXVZYHHI-UHFFFAOYSA-N
XLogP1.25
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxycyclohexyl)-prop-2-enylamino]acetic acid
CID 106874536
2-[2-hydroxyethyl(prop-2-enyl)amino]cyclohexan-1-ol
CID 115773200
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
3-[cyclohexyl(prop-2-enyl)amino]propanoic acid
CID 82327969
(E)-4-[(2-hydroxycyclohexyl)-methylamino]but-2-enoic acid
CID 102632738
2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)-prop-2-enylamino]acetic acid
CID 79270389
2-[(5-methyl-2-propan-2-ylcyclohexyl)-prop-2-enylamino]acetic acid
CID 79285316
2-[(2-hydroxycyclopentyl)-methylamino]acetic acid
CID 60885872
prop-2-enyl N-(2-hydroxycyclohexyl)-N-methylcarbamate
CID 23189741

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycycloheptyl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(2-hydroxycycloheptyl)-prop-2-enylamino]acetic acid (CID 79275648) is 2-[(2-hydroxycycloheptyl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxycycloheptyl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(2-hydroxycycloheptyl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C1CCCCCC1O.
What is the InChIKey of 2-[(2-hydroxycycloheptyl)-prop-2-enylamino]acetic acid?
The InChIKey is ZRFDVBTXVZYHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-8-13(9-12(15)16)10-6-4-3-5-7-11(10)14/h2,10-11,14H,1,3-9H2,(H,15,16).
What are the key properties of 2-[(2-hydroxycycloheptyl)-prop-2-enylamino]acetic acid?
2-[(2-hydroxycycloheptyl)-prop-2-enylamino]acetic acid has a molecular weight of 227.30 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycycloheptyl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79275648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).