[3-hydroxy-3-(3-propan-2-ylphenyl)cyclobutyl]-methylcarbamic acid

C15H21NO3 — CID 166759832

IUPAC[3-hydroxy-3-(3-propan-2-ylphenyl)cyclobutyl]-methylcarbamic acid
SMILESCC(C)c1cccc(C2(O)CC(N(C)C(=O)O)C2)c1
InChIInChI=1S/C15H21NO3/c1-10(2)11-5-4-6-12(7-11)15(19)8-13(9-15)16(3)14(17)18/h4-7,10,13,19H,8-9H2,1-3H3,(H,17,18)
InChIKeyACJZRVRIKVRVRS-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.77
Rot. Bonds3

About [3-hydroxy-3-(3-propan-2-ylphenyl)cyclobutyl]-methylcarbamic acid

[3-hydroxy-3-(3-propan-2-ylphenyl)cyclobutyl]-methylcarbamic acid (PubChem CID 166759832) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-hydroxy-3-(3-propan-2-ylphenyl)cyclobutyl]-methylcarbamic acid.

Molecular Properties

Compound Name[3-hydroxy-3-(3-propan-2-ylphenyl)cyclobutyl]-methylcarbamic acid
PubChem CID166759832
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[3-hydroxy-3-(3-propan-2-ylphenyl)cyclobutyl]-methylcarbamic acid
SMILESCC(C)c1cccc(C2(O)CC(N(C)C(=O)O)C2)c1
InChIInChI=1S/C15H21NO3/c1-10(2)11-5-4-6-12(7-11)15(19)8-13(9-15)16(3)14(17)18/h4-7,10,13,19H,8-9H2,1-3H3,(H,17,18)
InChIKeyACJZRVRIKVRVRS-UHFFFAOYSA-N
XLogP2.77
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961948
1-(3-propan-2-ylphenyl)cyclobutan-1-ol
CID 170997587
2-[3-(1-hydroxycyclopropyl)phenyl]propanoic acid
CID 115113055
7-[3-(difluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171961893
1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol
CID 117278395
1-(3-propan-2-ylphenyl)cyclopropan-1-amine
CID 55268959
methyl-[methylsulfanyl-(3-propan-2-ylphenyl)methyl]carbamic acid
CID 70600941
1-[3-(1-aminopropan-2-yl)phenyl]cyclopropan-1-ol
CID 115113169
1-(3-propan-2-ylphenyl)cyclobutan-1-amine
CID 82603155
ethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 143857791
(2S)-2-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide;hydrochloride
CID 119305750
3,3-dimethyl-4-(3-propan-2-ylphenyl)piperidin-4-ol
CID 174505137

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(3-propan-2-ylphenyl)cyclobutyl]-methylcarbamic acid?
The IUPAC name of [3-hydroxy-3-(3-propan-2-ylphenyl)cyclobutyl]-methylcarbamic acid (CID 166759832) is [3-hydroxy-3-(3-propan-2-ylphenyl)cyclobutyl]-methylcarbamic acid.
What is the SMILES notation for [3-hydroxy-3-(3-propan-2-ylphenyl)cyclobutyl]-methylcarbamic acid?
The canonical SMILES for [3-hydroxy-3-(3-propan-2-ylphenyl)cyclobutyl]-methylcarbamic acid is CC(C)c1cccc(C2(O)CC(N(C)C(=O)O)C2)c1.
What is the InChIKey of [3-hydroxy-3-(3-propan-2-ylphenyl)cyclobutyl]-methylcarbamic acid?
The InChIKey is ACJZRVRIKVRVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)11-5-4-6-12(7-11)15(19)8-13(9-15)16(3)14(17)18/h4-7,10,13,19H,8-9H2,1-3H3,(H,17,18).
What are the key properties of [3-hydroxy-3-(3-propan-2-ylphenyl)cyclobutyl]-methylcarbamic acid?
[3-hydroxy-3-(3-propan-2-ylphenyl)cyclobutyl]-methylcarbamic acid has a molecular weight of 263.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(3-propan-2-ylphenyl)cyclobutyl]-methylcarbamic acid is sourced from PubChem (CID 166759832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).