2-[1-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]cyclopentyl]acetic acid

C14H23NO4 — CID 61072039

IUPAC2-[1-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCC2CCOC2)CCCC1
InChIInChI=1S/C14H23NO4/c16-12(15-9-11-3-6-19-10-11)7-14(8-13(17)18)4-1-2-5-14/h11H,1-10H2,(H,15,16)(H,17,18)
InChIKeyBAJFSEDNSLXYOO-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.56
Rot. Bonds6

About 2-[1-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]cyclopentyl]acetic acid

2-[1-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]cyclopentyl]acetic acid (PubChem CID 61072039) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]cyclopentyl]acetic acid
PubChem CID61072039
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-[1-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCC2CCOC2)CCCC1
InChIInChI=1S/C14H23NO4/c16-12(15-9-11-3-6-19-10-11)7-14(8-13(17)18)4-1-2-5-14/h11H,1-10H2,(H,15,16)(H,17,18)
InChIKeyBAJFSEDNSLXYOO-UHFFFAOYSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(Cyclohexylmethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 45267202
3-[2-(Oxolan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 55235019
2-[1-[2-(5-Aminopentylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 134863040
trans-(1R,3S)-3-(3-dodecoxypropylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 3051755
2-[1-[2-Oxo-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]cyclopentyl]acetic acid
CID 63826947
2-[1-[2-[2-(2,2-Difluoroethoxy)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 103090701
2-[1-[2-[(2,2-Difluoro-3-hydroxypropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 114153013
2-[1-[2-(3-Methoxypropylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 4377347
{1-[2-Oxo-2-(propylamino)ethyl]cyclopentyl}acetic acid
CID 4387875
2-[1-[2-(Ethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 4501013
2-[[1-(3-Butoxypropylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid
CID 10291863
(2R)-2-[[1-[[(3R)-5-oxooxolan-3-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
CID 69536604

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]cyclopentyl]acetic acid (CID 61072039) is 2-[1-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)NCC2CCOC2)CCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]cyclopentyl]acetic acid?
The InChIKey is BAJFSEDNSLXYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c16-12(15-9-11-3-6-19-10-11)7-14(8-13(17)18)4-1-2-5-14/h11H,1-10H2,(H,15,16)(H,17,18).
What are the key properties of 2-[1-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]cyclopentyl]acetic acid?
2-[1-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]cyclopentyl]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61072039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).