2-(1-phenylethylamino)cyclopentene-1-carboxylic acid

C14H17NO2 — CID 22601904

IUPAC2-(1-phenylethylamino)cyclopentene-1-carboxylic acid
SMILESCC(NC1=C(C(=O)O)CCC1)c1ccccc1
InChIInChI=1S/C14H17NO2/c1-10(11-6-3-2-4-7-11)15-13-9-5-8-12(13)14(16)17/h2-4,6-7,10,15H,5,8-9H2,1H3,(H,16,17)
InChIKeyFRBGFEOJWJBTFY-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.86
Rot. Bonds4

About 2-(1-phenylethylamino)cyclopentene-1-carboxylic acid

2-(1-phenylethylamino)cyclopentene-1-carboxylic acid (PubChem CID 22601904) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(1-phenylethylamino)cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-phenylethylamino)cyclopentene-1-carboxylic acid
PubChem CID22601904
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-(1-phenylethylamino)cyclopentene-1-carboxylic acid
SMILESCC(NC1=C(C(=O)O)CCC1)c1ccccc1
InChIInChI=1S/C14H17NO2/c1-10(11-6-3-2-4-7-11)15-13-9-5-8-12(13)14(16)17/h2-4,6-7,10,15H,5,8-9H2,1H3,(H,16,17)
InChIKeyFRBGFEOJWJBTFY-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methane;bis(methyl 2-[[(1R)-1-phenylethyl]amino]cycloheptene-1-carboxylate);molecular hydrogen;sulfane
CID 158509744
(1E)-2-methyl-N-[(1S)-1-phenylethyl]cycloocten-1-amine
CID 10705411
ethyl 1-methyl-4-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 6422014
1-O-tert-butyl 6-O-ethyl 5-(1-phenylethylamino)-2,3,4,7-tetrahydroazepine-1,6-dicarboxylate
CID 142867149
methyl 8-(1-phenylethylamino)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
CID 20747812
4-ethoxycarbonyl-5-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 142793713
2-(2-methylpropanoyl)cyclopentene-1-carboxylic acid
CID 23588087
2-oxo-N-(1-phenylethyl)-2-piperidin-1-ylacetamide
CID 108507850
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
1-O-tert-butyl 5-O-ethyl 4-[[(1R)-1-phenylethyl]amino]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 10872460
[2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249920

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethylamino)cyclopentene-1-carboxylic acid?
The IUPAC name of 2-(1-phenylethylamino)cyclopentene-1-carboxylic acid (CID 22601904) is 2-(1-phenylethylamino)cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-(1-phenylethylamino)cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-(1-phenylethylamino)cyclopentene-1-carboxylic acid is CC(NC1=C(C(=O)O)CCC1)c1ccccc1.
What is the InChIKey of 2-(1-phenylethylamino)cyclopentene-1-carboxylic acid?
The InChIKey is FRBGFEOJWJBTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(11-6-3-2-4-7-11)15-13-9-5-8-12(13)14(16)17/h2-4,6-7,10,15H,5,8-9H2,1H3,(H,16,17).
What are the key properties of 2-(1-phenylethylamino)cyclopentene-1-carboxylic acid?
2-(1-phenylethylamino)cyclopentene-1-carboxylic acid has a molecular weight of 231.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethylamino)cyclopentene-1-carboxylic acid is sourced from PubChem (CID 22601904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).