(2R)-2-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-(4-hydroxyphenyl)propanamide

C16H22N2O2 — CID 106175266

IUPAC(2R)-2-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)NCCC1=CCCC1
InChIInChI=1S/C16H22N2O2/c17-15(11-13-5-7-14(19)8-6-13)16(20)18-10-9-12-3-1-2-4-12/h3,5-8,15,19H,1-2,4,9-11,17H2,(H,18,20)/t15-/m1/s1
InChIKeyBNPXITDLBJJGCS-OAHLLOKOSA-N
MW274.36 g/mol
LogP1.88
Rot. Bonds6

About (2R)-2-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-(4-hydroxyphenyl)propanamide

(2R)-2-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-(4-hydroxyphenyl)propanamide (PubChem CID 106175266) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
PubChem CID106175266
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2R)-2-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)NCCC1=CCCC1
InChIInChI=1S/C16H22N2O2/c17-15(11-13-5-7-14(19)8-6-13)16(20)18-10-9-12-3-1-2-4-12/h3,5-8,15,19H,1-2,4,9-11,17H2,(H,18,20)/t15-/m1/s1
InChIKeyBNPXITDLBJJGCS-OAHLLOKOSA-N
XLogP1.88
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 64896000
2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 76893887
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 68795830
(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide
CID 104904980
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide
CID 104905233
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide
CID 61154717
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide
CID 106175130
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 106047974
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-(4-hydroxyphenyl)propanamide (CID 106175266) is (2R)-2-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-(4-hydroxyphenyl)propanamide is N[C@H](Cc1ccc(O)cc1)C(=O)NCCC1=CCCC1.
What is the InChIKey of (2R)-2-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is BNPXITDLBJJGCS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-15(11-13-5-7-14(19)8-6-13)16(20)18-10-9-12-3-1-2-4-12/h3,5-8,15,19H,1-2,4,9-11,17H2,(H,18,20)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-(4-hydroxyphenyl)propanamide?
(2R)-2-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 274.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 106175266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).