tert-butyl N-[(2S)-2-hydroxybutyl]carbamate

C9H19NO3 — CID 58718643

IUPACtert-butyl N-[(2S)-2-hydroxybutyl]carbamate
SMILESCC[C@H](O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-5-7(11)6-10-8(12)13-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m0/s1
InChIKeyKDWNTQCNRHAQBC-ZETCQYMHSA-N
MW189.25 g/mol
LogP1.28
Rot. Bonds3

About tert-butyl N-[(2S)-2-hydroxybutyl]carbamate

tert-butyl N-[(2S)-2-hydroxybutyl]carbamate (PubChem CID 58718643) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-hydroxybutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-hydroxybutyl]carbamate
PubChem CID58718643
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nametert-butyl N-[(2S)-2-hydroxybutyl]carbamate
SMILESCC[C@H](O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-5-7(11)6-10-8(12)13-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m0/s1
InChIKeyKDWNTQCNRHAQBC-ZETCQYMHSA-N
XLogP1.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
tert-butyl N-(2-hydroxyhexyl)carbamate
CID 130004068
tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate
CID 130640432
tert-butyl N-[(2R)-2-ethyl-3-hydroxypentyl]carbamate
CID 91490208
tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate
CID 84705743
tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate
CID 101456179
tert-butyl N-(2-hydroxy-4-iodobutyl)carbamate
CID 91667088
tert-butyl N-[(E,2R)-2-hydroxyhept-4-enyl]carbamate
CID 10489591
tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;2-methylprop-2-enoic acid
CID 158486538
tert-butyl N-(2-hydroxy-2-sulfanylethyl)carbamate
CID 155160397
tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate
CID 167726889
(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10899749

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-hydroxybutyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-hydroxybutyl]carbamate (CID 58718643) is tert-butyl N-[(2S)-2-hydroxybutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-hydroxybutyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-hydroxybutyl]carbamate is CC[C@H](O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-2-hydroxybutyl]carbamate?
The InChIKey is KDWNTQCNRHAQBC-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H19NO3/c1-5-7(11)6-10-8(12)13-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-hydroxybutyl]carbamate?
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate has a molecular weight of 189.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-hydroxybutyl]carbamate is sourced from PubChem (CID 58718643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).