2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid

C13H21NO4 — CID 79760323

IUPAC2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid
SMILESCC1OCCC1C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H21NO4/c1-9-10(4-7-18-9)12(17)14-13(8-11(15)16)5-2-3-6-13/h9-10H,2-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyQPYYHJXWLTYENA-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.32
Rot. Bonds4

About 2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid

2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid (PubChem CID 79760323) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid
PubChem CID79760323
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid
SMILESCC1OCCC1C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H21NO4/c1-9-10(4-7-18-9)12(17)14-13(8-11(15)16)5-2-3-6-13/h9-10H,2-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyQPYYHJXWLTYENA-UHFFFAOYSA-N
XLogP1.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide
CID 115885935
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
CID 79759322
2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid
CID 82729085
1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 79750991
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
CID 114303934
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
CID 114314618
2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid
CID 65019610
(2R,3R)-N-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]-2-methyloxolane-3-carboxamide
CID 129374190
2-[(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750229
2-[1-(cyclopentanecarbonylamino)cyclobutyl]acetic acid
CID 79849092
2-[1-(morpholine-2-carbonylamino)cyclopentyl]acetic acid
CID 64702286
2-[1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexyl]acetic acid
CID 104914061

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid (CID 79760323) is 2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid is CC1OCCC1C(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid?
The InChIKey is QPYYHJXWLTYENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-9-10(4-7-18-9)12(17)14-13(8-11(15)16)5-2-3-6-13/h9-10H,2-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid?
2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid has a molecular weight of 255.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 79760323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).