tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate

C12H25NO3 — CID 89169679

IUPACtert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate
SMILESCC[C@@H](O)CCN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-6-10(14)8-9-13(7-2)11(15)16-12(3,4)5/h10,14H,6-9H2,1-5H3/t10-/m1/s1
InChIKeyXTNSRYGIDUBMHO-SNVBAGLBSA-N
MW231.34 g/mol
LogP2.40
Rot. Bonds5

About tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate

tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate (PubChem CID 89169679) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate
PubChem CID89169679
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nametert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate
SMILESCC[C@@H](O)CCN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-6-10(14)8-9-13(7-2)11(15)16-12(3,4)5/h10,14H,6-9H2,1-5H3/t10-/m1/s1
InChIKeyXTNSRYGIDUBMHO-SNVBAGLBSA-N
XLogP2.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate
CID 142256576
tert-butyl N-ethyl-N-(3-methylpent-4-ynyl)carbamate
CID 142946494
tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene
CID 143879621
methyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylbutanoate
CID 89026168
tert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate
CID 140978282
tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate
CID 176669886
tert-butyl N,N-bis(2-hydroxypentyl)carbamate
CID 165352440
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-ethyl-N-(3-oxopentyl)carbamate
CID 122518879
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
CID 123629374
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate (CID 89169679) is tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate is CC[C@@H](O)CCN(CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate?
The InChIKey is XTNSRYGIDUBMHO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H25NO3/c1-6-10(14)8-9-13(7-2)11(15)16-12(3,4)5/h10,14H,6-9H2,1-5H3/t10-/m1/s1.
What are the key properties of tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate?
tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate has a molecular weight of 231.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate is sourced from PubChem (CID 89169679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).