tert-butyl N-[(2R)-2-ethyl-3-hydroxypentyl]carbamate

C12H25NO3 — CID 91490208

IUPACtert-butyl N-[(2R)-2-ethyl-3-hydroxypentyl]carbamate
SMILESCCC(O)[C@H](CC)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-6-9(10(14)7-2)8-13-11(15)16-12(3,4)5/h9-10,14H,6-8H2,1-5H3,(H,13,15)/t9-,10?/m1/s1
InChIKeyJQFYMJDMMGFNCO-YHMJZVADSA-N
MW231.34 g/mol
LogP2.31
Rot. Bonds5

About tert-butyl N-[(2R)-2-ethyl-3-hydroxypentyl]carbamate

tert-butyl N-[(2R)-2-ethyl-3-hydroxypentyl]carbamate (PubChem CID 91490208) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-ethyl-3-hydroxypentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-ethyl-3-hydroxypentyl]carbamate
PubChem CID91490208
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nametert-butyl N-[(2R)-2-ethyl-3-hydroxypentyl]carbamate
SMILESCCC(O)[C@H](CC)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-6-9(10(14)7-2)8-13-11(15)16-12(3,4)5/h9-10,14H,6-8H2,1-5H3,(H,13,15)/t9-,10?/m1/s1
InChIKeyJQFYMJDMMGFNCO-YHMJZVADSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-[(2R,3S)-2-(hydroxymethyl)-3-methylpentyl]carbamate
CID 75365792
tert-butyl N-[2-[[(2-hydroxy-3-methylbutyl)amino]methyl]-3-methylbutyl]carbamate
CID 107442782
tert-butyl N-(2-hydroxy-2-sulfanylethyl)carbamate
CID 155160397
2-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanedioic acid
CID 119053739
(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10899749
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate
CID 87428615
methyl (2S,3R)-2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 130935701
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
tert-butyl N-(2-hydroxyhexyl)carbamate
CID 130004068
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 81066904

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-ethyl-3-hydroxypentyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-ethyl-3-hydroxypentyl]carbamate (CID 91490208) is tert-butyl N-[(2R)-2-ethyl-3-hydroxypentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-ethyl-3-hydroxypentyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-ethyl-3-hydroxypentyl]carbamate is CCC(O)[C@H](CC)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-2-ethyl-3-hydroxypentyl]carbamate?
The InChIKey is JQFYMJDMMGFNCO-YHMJZVADSA-N. The full InChI is InChI=1S/C12H25NO3/c1-6-9(10(14)7-2)8-13-11(15)16-12(3,4)5/h9-10,14H,6-8H2,1-5H3,(H,13,15)/t9-,10?/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2-ethyl-3-hydroxypentyl]carbamate?
tert-butyl N-[(2R)-2-ethyl-3-hydroxypentyl]carbamate has a molecular weight of 231.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-ethyl-3-hydroxypentyl]carbamate is sourced from PubChem (CID 91490208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).