2-[1-[2-(benzylamino)-2-oxoethyl]cyclopentyl]acetic acid

C16H21NO3 — CID 938078

IUPAC2-[1-[2-(benzylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCc2ccccc2)CCCC1
InChIInChI=1S/C16H21NO3/c18-14(17-12-13-6-2-1-3-7-13)10-16(11-15(19)20)8-4-5-9-16/h1-3,6-7H,4-5,8-12H2,(H,17,18)(H,19,20)
InChIKeyNXGCSRPFYGBFQP-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.73
Rot. Bonds6

About 2-[1-[2-(benzylamino)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(benzylamino)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 938078) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[1-[2-(benzylamino)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(benzylamino)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID938078
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[1-[2-(benzylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCc2ccccc2)CCCC1
InChIInChI=1S/C16H21NO3/c18-14(17-12-13-6-2-1-3-7-13)10-16(11-15(19)20)8-4-5-9-16/h1-3,6-7H,4-5,8-12H2,(H,17,18)(H,19,20)
InChIKeyNXGCSRPFYGBFQP-UHFFFAOYSA-N
XLogP2.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Acetamido-3-phenylpropanoic acid
CID 3480882
3-(2,2-Dimethyl-propionylamino)-3-phenyl-propionic acid
CID 3677278
6-Benzamidohexanoic acid
CID 70388
1,2,2-Trimethyl-3-[(1-phenylethyl)carbamoyl]cyclopentanecarboxylic acid
CID 2827273
5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid
CID 2169806
2-((1-((1-Benzyl-6-oxo-1,6-dihydropyridin-3-yl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 9866271
3-(2-Methylpropanoylamino)-3-phenylpropanoic acid
CID 4245294
3-(N-Benzylcarbamoyl)-5-norbornene-2-carboxylic acid
CID 3728934
N-Benzylglutaramic acid
CID 3605536
N-(2-Phenethyl)glutaramic acid
CID 4301834
3-[(Benzylamino)carbonyl]-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2971886
2-((1-(((1R,2R)-2-benzylcyclohexyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11531417

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(benzylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(benzylamino)-2-oxoethyl]cyclopentyl]acetic acid (CID 938078) is 2-[1-[2-(benzylamino)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(benzylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(benzylamino)-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)NCc2ccccc2)CCCC1.
What is the InChIKey of 2-[1-[2-(benzylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is NXGCSRPFYGBFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-14(17-12-13-6-2-1-3-7-13)10-16(11-15(19)20)8-4-5-9-16/h1-3,6-7H,4-5,8-12H2,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[2-(benzylamino)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(benzylamino)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 275.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(benzylamino)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 938078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).