[(2R,3S)-3-hydroxybutan-2-yl] N,N-diethylcarbamate

C9H19NO3 — CID 101353524

IUPAC[(2R,3S)-3-hydroxybutan-2-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)O[C@H](C)[C@H](C)O
InChIInChI=1S/C9H19NO3/c1-5-10(6-2)9(12)13-8(4)7(3)11/h7-8,11H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyGZGGZWSTAOSIBL-JGVFFNPUSA-N
MW189.25 g/mol
LogP1.23
Rot. Bonds4

About [(2R,3S)-3-hydroxybutan-2-yl] N,N-diethylcarbamate

[(2R,3S)-3-hydroxybutan-2-yl] N,N-diethylcarbamate (PubChem CID 101353524) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is [(2R,3S)-3-hydroxybutan-2-yl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[(2R,3S)-3-hydroxybutan-2-yl] N,N-diethylcarbamate
PubChem CID101353524
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name[(2R,3S)-3-hydroxybutan-2-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)O[C@H](C)[C@H](C)O
InChIInChI=1S/C9H19NO3/c1-5-10(6-2)9(12)13-8(4)7(3)11/h7-8,11H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyGZGGZWSTAOSIBL-JGVFFNPUSA-N
XLogP1.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl] N,N-diethylcarbamate
CID 101353525
octan-2-yl N,N-diethylcarbamate
CID 175430238
[3-(diethylcarbamoyloxy)-2-hydroxypropyl] N,N-diethylcarbamate
CID 10684919
1-(diethylcarbamoyloxy)ethyl 2,2,3-trimethylbutanoate
CID 87848088
ethyl 4-(diethylcarbamoyloxy)pentanoate
CID 122517584
ethyl 2-(diethylcarbamoyloxy)-3,3-dimethylbutanoate
CID 122517635
N,N-diethyl-2-(methoxyamino)propanamide
CID 60721258
3-[C-(3-hydroxybutan-2-yloxy)carbonimidoyl]oxybutan-2-ol
CID 90287697
3-hydroxybutan-2-yl N-methylcarbamate
CID 55286008
ethyl 3-(diethylcarbamoyloxy)-2-methylpropanoate
CID 122517581
3-methylpentan-2-yl N,N-dichlorocarbamate
CID 23320292
3-hydroxybutan-2-yl pentanoate
CID 19808005

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-hydroxybutan-2-yl] N,N-diethylcarbamate?
The IUPAC name of [(2R,3S)-3-hydroxybutan-2-yl] N,N-diethylcarbamate (CID 101353524) is [(2R,3S)-3-hydroxybutan-2-yl] N,N-diethylcarbamate.
What is the SMILES notation for [(2R,3S)-3-hydroxybutan-2-yl] N,N-diethylcarbamate?
The canonical SMILES for [(2R,3S)-3-hydroxybutan-2-yl] N,N-diethylcarbamate is CCN(CC)C(=O)O[C@H](C)[C@H](C)O.
What is the InChIKey of [(2R,3S)-3-hydroxybutan-2-yl] N,N-diethylcarbamate?
The InChIKey is GZGGZWSTAOSIBL-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H19NO3/c1-5-10(6-2)9(12)13-8(4)7(3)11/h7-8,11H,5-6H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of [(2R,3S)-3-hydroxybutan-2-yl] N,N-diethylcarbamate?
[(2R,3S)-3-hydroxybutan-2-yl] N,N-diethylcarbamate has a molecular weight of 189.25 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-hydroxybutan-2-yl] N,N-diethylcarbamate is sourced from PubChem (CID 101353524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).