2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-phenylacetic acid

C16H19NO3 — CID 63564596

IUPAC2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-phenylacetic acid
SMILESO=C(CC1=CCCCC1)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H19NO3/c18-14(11-12-7-3-1-4-8-12)17-15(16(19)20)13-9-5-2-6-10-13/h2,5-7,9-10,15H,1,3-4,8,11H2,(H,17,18)(H,19,20)
InChIKeyVMRKVPJNBMYQEH-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.82
Rot. Bonds5

About 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-phenylacetic acid

2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-phenylacetic acid (PubChem CID 63564596) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-phenylacetic acid
PubChem CID63564596
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-phenylacetic acid
SMILESO=C(CC1=CCCCC1)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H19NO3/c18-14(11-12-7-3-1-4-8-12)17-15(16(19)20)13-9-5-2-6-10-13/h2,5-7,9-10,15H,1,3-4,8,11H2,(H,17,18)(H,19,20)
InChIKeyVMRKVPJNBMYQEH-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.82
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

(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid
CID 119372755
(2S,3R)-2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-hydroxybutanoic acid
CID 104964499
2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide
CID 42931151
2-phenyl-2-[(2-phenylacetyl)amino]ethanethioic S-acid
CID 54430659
2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid
CID 61157868
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid
CID 108804747
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]propanoate
CID 63564809
N-(1-aminobutan-2-yl)-2-(cyclohexen-1-yl)acetamide
CID 65193722
(2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide
CID 70535754
2-(3-aminopropanoylamino)-2-phenylacetic acid
CID 61159354

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-phenylacetic acid (CID 63564596) is 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-phenylacetic acid is O=C(CC1=CCCCC1)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-phenylacetic acid?
The InChIKey is VMRKVPJNBMYQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-14(11-12-7-3-1-4-8-12)17-15(16(19)20)13-9-5-2-6-10-13/h2,5-7,9-10,15H,1,3-4,8,11H2,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-phenylacetic acid?
2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-phenylacetic acid has a molecular weight of 273.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 63564596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).