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

C13H21NO4 — CID 66004477

IUPAC2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCC1CC(O)C1
InChIInChI=1S/C13H21NO4/c15-9-5-8(6-9)7-14-12(16)10-3-1-2-4-11(10)13(17)18/h8-11,15H,1-7H2,(H,14,16)(H,17,18)
InChIKeyCZRRSKMTHUFJQD-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.76
Rot. Bonds4

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

2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 66004477) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID66004477
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCC1CC(O)C1
InChIInChI=1S/C13H21NO4/c15-9-5-8(6-9)7-14-12(16)10-3-1-2-4-11(10)13(17)18/h8-11,15H,1-7H2,(H,14,16)(H,17,18)
InChIKeyCZRRSKMTHUFJQD-UHFFFAOYSA-N
XLogP0.76
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978906
cis-(1R,2S)-2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 40637638
2-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 66004226
2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 54933491
cis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 114092192
2-[(4-hydroxycyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106120411
2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978063
2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975015
2-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60862754
6-[(3-hydroxycyclopentyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 106120294
2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115752919
N-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide
CID 80595405

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 66004477) is 2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NCC1CC(O)C1.
What is the InChIKey of 2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is CZRRSKMTHUFJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c15-9-5-8(6-9)7-14-12(16)10-3-1-2-4-11(10)13(17)18/h8-11,15H,1-7H2,(H,14,16)(H,17,18).
What are the key properties of 2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 0.76, 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]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66004477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).