2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid

C15H20N2O3 — CID 103240431

IUPAC2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid
SMILESCC(=O)Nc1cccc(C(C)NC2CCC2C(=O)O)c1
InChIInChI=1S/C15H20N2O3/c1-9(16-14-7-6-13(14)15(19)20)11-4-3-5-12(8-11)17-10(2)18/h3-5,8-9,13-14,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyKVGKEWKTDYWNGP-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.16
Rot. Bonds5

About 2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid

2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid (PubChem CID 103240431) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid
PubChem CID103240431
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid
SMILESCC(=O)Nc1cccc(C(C)NC2CCC2C(=O)O)c1
InChIInChI=1S/C15H20N2O3/c1-9(16-14-7-6-13(14)15(19)20)11-4-3-5-12(8-11)17-10(2)18/h3-5,8-9,13-14,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyKVGKEWKTDYWNGP-UHFFFAOYSA-N
XLogP2.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 104956122
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CID 60980286
N-[3-[1-[(3-methylcyclopentyl)amino]ethyl]phenyl]acetamide
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N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 115708260
N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide
CID 43752163
N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 43206478
N-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide
CID 103786748
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 10933381
2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103246093
trans-(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 11020794
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103244298

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid (CID 103240431) is 2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid is CC(=O)Nc1cccc(C(C)NC2CCC2C(=O)O)c1.
What is the InChIKey of 2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid?
The InChIKey is KVGKEWKTDYWNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9(16-14-7-6-13(14)15(19)20)11-4-3-5-12(8-11)17-10(2)18/h3-5,8-9,13-14,16H,6-7H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid?
2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103240431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).