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

C6H13NO3 — CID 20667189

IUPACmethyl N-(3-hydroxybutan-2-yl)carbamate
SMILESCOC(=O)NC(C)C(C)O
InChIInChI=1S/C6H13NO3/c1-4(5(2)8)7-6(9)10-3/h4-5,8H,1-3H3,(H,7,9)
InChIKeyORVYPIPXACDBMU-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.11
Rot. Bonds2

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

methyl N-(3-hydroxybutan-2-yl)carbamate (PubChem CID 20667189) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is methyl N-(3-hydroxybutan-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-hydroxybutan-2-yl)carbamate
PubChem CID20667189
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namemethyl N-(3-hydroxybutan-2-yl)carbamate
SMILESCOC(=O)NC(C)C(C)O
InChIInChI=1S/C6H13NO3/c1-4(5(2)8)7-6(9)10-3/h4-5,8H,1-3H3,(H,7,9)
InChIKeyORVYPIPXACDBMU-UHFFFAOYSA-N
XLogP0.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(3-methylbutan-2-yl)carbamate
CID 3614647
methyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate
CID 139305686
methyl N-[(2R,3R)-3-hydroxy-1-oxobutan-2-yl]carbamate
CID 123686900
3-hydroxy-2-(methoxycarbonylamino)butanethioic S-acid
CID 123609347
cyclobutyl N-(3-hydroxybutan-2-yl)carbamate
CID 156816485
methyl N-[(1R)-1-phosphanylethyl]carbamate
CID 122592062
methyl N-(1-fluoroethyl)carbamate
CID 166647333
(2S,3R)-3-hydroxy-2-(methoxycarbonylamino)butanoic acid;methane;sulfane
CID 161287453
methyl N-(1-cyclopropyl-2-hydroxypropyl)carbamate
CID 126707476
methyl N-[(2S,3R)-2-hydroxy-5,5-dimethyl-4-oxohexan-3-yl]carbamate
CID 59450089
methyl N-[(2S,3S,5S)-2-hydroxy-4-oxo-5-sulfanylhexan-3-yl]carbamate
CID 153093857
methyl 2-hydroxy-2-(methoxycarbonylamino)acetate
CID 11412561

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-hydroxybutan-2-yl)carbamate?
The IUPAC name of methyl N-(3-hydroxybutan-2-yl)carbamate (CID 20667189) is methyl N-(3-hydroxybutan-2-yl)carbamate.
What is the SMILES notation for methyl N-(3-hydroxybutan-2-yl)carbamate?
The canonical SMILES for methyl N-(3-hydroxybutan-2-yl)carbamate is COC(=O)NC(C)C(C)O.
What is the InChIKey of methyl N-(3-hydroxybutan-2-yl)carbamate?
The InChIKey is ORVYPIPXACDBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4(5(2)8)7-6(9)10-3/h4-5,8H,1-3H3,(H,7,9).
What are the key properties of methyl N-(3-hydroxybutan-2-yl)carbamate?
methyl N-(3-hydroxybutan-2-yl)carbamate has a molecular weight of 147.17 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-hydroxybutan-2-yl)carbamate is sourced from PubChem (CID 20667189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).