cyclobutyl N-(3-hydroxybutan-2-yl)carbamate

C9H17NO3 — CID 156816485

IUPACcyclobutyl N-(3-hydroxybutan-2-yl)carbamate
SMILESCC(O)C(C)NC(=O)OC1CCC1
InChIInChI=1S/C9H17NO3/c1-6(7(2)11)10-9(12)13-8-4-3-5-8/h6-8,11H,3-5H2,1-2H3,(H,10,12)
InChIKeyVBOWJXRZUMPGKH-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.03
Rot. Bonds3

About cyclobutyl N-(3-hydroxybutan-2-yl)carbamate

cyclobutyl N-(3-hydroxybutan-2-yl)carbamate (PubChem CID 156816485) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is cyclobutyl N-(3-hydroxybutan-2-yl)carbamate.

Molecular Properties

Compound Namecyclobutyl N-(3-hydroxybutan-2-yl)carbamate
PubChem CID156816485
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namecyclobutyl N-(3-hydroxybutan-2-yl)carbamate
SMILESCC(O)C(C)NC(=O)OC1CCC1
InChIInChI=1S/C9H17NO3/c1-6(7(2)11)10-9(12)13-8-4-3-5-8/h6-8,11H,3-5H2,1-2H3,(H,10,12)
InChIKeyVBOWJXRZUMPGKH-UHFFFAOYSA-N
XLogP1.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate
CID 112738864
methyl N-(3-hydroxybutan-2-yl)carbamate
CID 20667189
cyclopentyl N-methylcarbamate
CID 23548767
1-[[(2S)-2-(cyclopentyloxycarbonylamino)propanoyl]amino]ethylphosphonous acid
CID 22811622
cyclopentyl N-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 59880557
cyclobutyl N-(4-methylpentyl)carbamate
CID 164797189
cyclobutyl (2S)-2-aminopropanoate
CID 45086620
cyclohexyl N-(2-methylpropyl)carbamate
CID 123419142
cyclobutyl N-(2,3-dihydroxypropyl)carbamate
CID 156816353
(3-aminocyclopentyl) N-propan-2-ylcarbamate
CID 79465230
cyclobutyl 2,3-dimethylpentanoate
CID 174713613
cyclopentyl N-ethylcarbamate
CID 54482890

Frequently Asked Questions

What is the IUPAC name of cyclobutyl N-(3-hydroxybutan-2-yl)carbamate?
The IUPAC name of cyclobutyl N-(3-hydroxybutan-2-yl)carbamate (CID 156816485) is cyclobutyl N-(3-hydroxybutan-2-yl)carbamate.
What is the SMILES notation for cyclobutyl N-(3-hydroxybutan-2-yl)carbamate?
The canonical SMILES for cyclobutyl N-(3-hydroxybutan-2-yl)carbamate is CC(O)C(C)NC(=O)OC1CCC1.
What is the InChIKey of cyclobutyl N-(3-hydroxybutan-2-yl)carbamate?
The InChIKey is VBOWJXRZUMPGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(7(2)11)10-9(12)13-8-4-3-5-8/h6-8,11H,3-5H2,1-2H3,(H,10,12).
What are the key properties of cyclobutyl N-(3-hydroxybutan-2-yl)carbamate?
cyclobutyl N-(3-hydroxybutan-2-yl)carbamate has a molecular weight of 187.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl N-(3-hydroxybutan-2-yl)carbamate is sourced from PubChem (CID 156816485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).