2-(cyclohex-3-en-1-ylamino)-2-phenylacetic acid

C14H17NO2 — CID 103255305

IUPAC2-(cyclohex-3-en-1-ylamino)-2-phenylacetic acid
SMILESO=C(O)C(NC1CC=CCC1)c1ccccc1
InChIInChI=1S/C14H17NO2/c16-14(17)13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-5,7-8,12-13,15H,6,9-10H2,(H,16,17)
InChIKeyWPMYFYVBLGANIC-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.51
Rot. Bonds4

About 2-(cyclohex-3-en-1-ylamino)-2-phenylacetic acid

2-(cyclohex-3-en-1-ylamino)-2-phenylacetic acid (PubChem CID 103255305) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylamino)-2-phenylacetic acid
PubChem CID103255305
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-(cyclohex-3-en-1-ylamino)-2-phenylacetic acid
SMILESO=C(O)C(NC1CC=CCC1)c1ccccc1
InChIInChI=1S/C14H17NO2/c16-14(17)13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-5,7-8,12-13,15H,6,9-10H2,(H,16,17)
InChIKeyWPMYFYVBLGANIC-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid
CID 65080241
N-cyclohex-3-en-1-yl-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 111435340
2-[(1-ethylpiperidin-4-yl)amino]-2-phenylacetic acid
CID 62110488
2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid
CID 55036450
(2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide
CID 94209163
(2R)-2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide
CID 94209165
(2R)-2-(cyclopropylamino)-2-pyridin-3-ylacetic acid
CID 93280695
2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid
CID 61157868
2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-phenylacetic acid
CID 62108990
2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid
CID 43754566
6-[[carboxy(phenyl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 5082328
2-(6-oxaspiro[4.5]decan-9-ylamino)-2-phenylacetic acid
CID 79901122

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylamino)-2-phenylacetic acid?
The IUPAC name of 2-(cyclohex-3-en-1-ylamino)-2-phenylacetic acid (CID 103255305) is 2-(cyclohex-3-en-1-ylamino)-2-phenylacetic acid.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylamino)-2-phenylacetic acid?
The canonical SMILES for 2-(cyclohex-3-en-1-ylamino)-2-phenylacetic acid is O=C(O)C(NC1CC=CCC1)c1ccccc1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylamino)-2-phenylacetic acid?
The InChIKey is WPMYFYVBLGANIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(17)13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-5,7-8,12-13,15H,6,9-10H2,(H,16,17).
What are the key properties of 2-(cyclohex-3-en-1-ylamino)-2-phenylacetic acid?
2-(cyclohex-3-en-1-ylamino)-2-phenylacetic acid has a molecular weight of 231.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylamino)-2-phenylacetic acid is sourced from PubChem (CID 103255305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).