2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid

C12H19NO4 — CID 103978906

IUPAC2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCC1CC(O)C1
InChIInChI=1S/C12H19NO4/c14-8-4-7(5-8)6-13-11(15)9-2-1-3-10(9)12(16)17/h7-10,14H,1-6H2,(H,13,15)(H,16,17)
InChIKeyBETQQEOZPAVADQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.37
Rot. Bonds4

About 2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid

2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978906) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978906
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCC1CC(O)C1
InChIInChI=1S/C12H19NO4/c14-8-4-7(5-8)6-13-11(15)9-2-1-3-10(9)12(16)17/h7-10,14H,1-6H2,(H,13,15)(H,16,17)
InChIKeyBETQQEOZPAVADQ-UHFFFAOYSA-N
XLogP0.37
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 66004477
cis-(1R,2S)-2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 40637638
2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978063
2-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 66004226
2-[(4-hydroxycyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106120411
2-[[2-(hydroxymethyl)cyclopentyl]methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 113361137
2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 54933491
3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 66005543
cis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 114092192
6-[(3-hydroxycyclopentyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 106120294
2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115752919
2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977876

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103978906) is 2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)NCC1CC(O)C1.
What is the InChIKey of 2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is BETQQEOZPAVADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-8-4-7(5-8)6-13-11(15)9-2-1-3-10(9)12(16)17/h7-10,14H,1-6H2,(H,13,15)(H,16,17).
What are the key properties of 2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).