2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid

C12H19NO4 — CID 103978063

IUPAC2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCC1CCOC1
InChIInChI=1S/C12H19NO4/c14-11(13-6-8-4-5-17-7-8)9-2-1-3-10(9)12(15)16/h8-10H,1-7H2,(H,13,14)(H,15,16)
InChIKeyNRTSKMBOUCKJIR-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.64
Rot. Bonds4

About 2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid

2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103978063) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103978063
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCC1CCOC1
InChIInChI=1S/C12H19NO4/c14-11(13-6-8-4-5-17-7-8)9-2-1-3-10(9)12(15)16/h8-10H,1-7H2,(H,13,14)(H,15,16)
InChIKeyNRTSKMBOUCKJIR-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 54933491
2-amino-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 62825271
3-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550051
cis-(1R,2S)-2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 40637638
2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978906
2-methyl-N-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide
CID 79388592
4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511623
2-oxo-2-(oxolan-3-ylmethylamino)acetic acid
CID 62824224
2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 66004477
(2S)-N-(oxolan-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61179027
2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3119934
2-[[2-(hydroxymethyl)cyclopentyl]methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 113361137

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103978063) is 2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)NCC1CCOC1.
What is the InChIKey of 2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is NRTSKMBOUCKJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-11(13-6-8-4-5-17-7-8)9-2-1-3-10(9)12(15)16/h8-10H,1-7H2,(H,13,14)(H,15,16).
What are the key properties of 2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).