benzyl-(3-hydroxy-1-methylcyclobutyl)carbamic acid

C13H17NO3 — CID 118085296

IUPACbenzyl-(3-hydroxy-1-methylcyclobutyl)carbamic acid
SMILESCC1(N(Cc2ccccc2)C(=O)O)CC(O)C1
InChIInChI=1S/C13H17NO3/c1-13(7-11(15)8-13)14(12(16)17)9-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3,(H,16,17)
InChIKeyCBPZATNUBHNEGS-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.08
Rot. Bonds3

About benzyl-(3-hydroxy-1-methylcyclobutyl)carbamic acid

benzyl-(3-hydroxy-1-methylcyclobutyl)carbamic acid (PubChem CID 118085296) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is benzyl-(3-hydroxy-1-methylcyclobutyl)carbamic acid.

Molecular Properties

Compound Namebenzyl-(3-hydroxy-1-methylcyclobutyl)carbamic acid
PubChem CID118085296
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namebenzyl-(3-hydroxy-1-methylcyclobutyl)carbamic acid
SMILESCC1(N(Cc2ccccc2)C(=O)O)CC(O)C1
InChIInChI=1S/C13H17NO3/c1-13(7-11(15)8-13)14(12(16)17)9-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3,(H,16,17)
InChIKeyCBPZATNUBHNEGS-UHFFFAOYSA-N
XLogP2.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-amino-1-methylcyclohexyl]-benzylcarbamic acid;hydrochloride
CID 129278977
N-benzyl-N-(4-hydroxycyclohexyl)carbamate
CID 91827888
methyl N-[(1S,2S)-1-(aminomethyl)-2-phenylmethoxycyclopropyl]-N-benzylcarbamate
CID 90322630
4-(dibenzylamino)-1-methylcyclohexane-1-carboxylic acid
CID 171314831
(4-benzyl-1,3,5-trihydroxycyclohexyl)-phenylmethanone
CID 70475095
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
trans-(1R,2S)-2-(dibenzylamino)-1-methylcyclobutan-1-ol
CID 137450440
N-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide
CID 80500969
N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide
CID 107366064
1-[3-(dibenzylamino)-1-methylcyclopentyl]propan-1-one
CID 174737781
N-benzyl-N-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)acetamide
CID 100944487
(2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide
CID 59336257

Frequently Asked Questions

What is the IUPAC name of benzyl-(3-hydroxy-1-methylcyclobutyl)carbamic acid?
The IUPAC name of benzyl-(3-hydroxy-1-methylcyclobutyl)carbamic acid (CID 118085296) is benzyl-(3-hydroxy-1-methylcyclobutyl)carbamic acid.
What is the SMILES notation for benzyl-(3-hydroxy-1-methylcyclobutyl)carbamic acid?
The canonical SMILES for benzyl-(3-hydroxy-1-methylcyclobutyl)carbamic acid is CC1(N(Cc2ccccc2)C(=O)O)CC(O)C1.
What is the InChIKey of benzyl-(3-hydroxy-1-methylcyclobutyl)carbamic acid?
The InChIKey is CBPZATNUBHNEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(7-11(15)8-13)14(12(16)17)9-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3,(H,16,17).
What are the key properties of benzyl-(3-hydroxy-1-methylcyclobutyl)carbamic acid?
benzyl-(3-hydroxy-1-methylcyclobutyl)carbamic acid has a molecular weight of 235.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(3-hydroxy-1-methylcyclobutyl)carbamic acid is sourced from PubChem (CID 118085296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).