tert-butyl N-[(2S,3R)-3-hydroxybutan-2-yl]carbamate

C9H19NO3 — CID 11183099

IUPACtert-butyl N-[(2S,3R)-3-hydroxybutan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O
InChIInChI=1S/C9H19NO3/c1-6(7(2)11)10-8(12)13-9(3,4)5/h6-7,11H,1-5H3,(H,10,12)/t6-,7+/m0/s1
InChIKeyCHYWVAGOJXWXIK-NKWVEPMBSA-N
MW189.25 g/mol
LogP1.28
Rot. Bonds2

About tert-butyl N-[(2S,3R)-3-hydroxybutan-2-yl]carbamate

tert-butyl N-[(2S,3R)-3-hydroxybutan-2-yl]carbamate (PubChem CID 11183099) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-3-hydroxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-3-hydroxybutan-2-yl]carbamate
PubChem CID11183099
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nametert-butyl N-[(2S,3R)-3-hydroxybutan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O
InChIInChI=1S/C9H19NO3/c1-6(7(2)11)10-8(12)13-9(3,4)5/h6-7,11H,1-5H3,(H,10,12)/t6-,7+/m0/s1
InChIKeyCHYWVAGOJXWXIK-NKWVEPMBSA-N
XLogP1.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-3-hydroxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-3-hydroxybutan-2-yl]carbamate (CID 11183099) is tert-butyl N-[(2S,3R)-3-hydroxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-3-hydroxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-3-hydroxybutan-2-yl]carbamate is C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O.
What is the InChIKey of tert-butyl N-[(2S,3R)-3-hydroxybutan-2-yl]carbamate?
The InChIKey is CHYWVAGOJXWXIK-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H19NO3/c1-6(7(2)11)10-8(12)13-9(3,4)5/h6-7,11H,1-5H3,(H,10,12)/t6-,7+/m0/s1.
What are the key properties of tert-butyl N-[(2S,3R)-3-hydroxybutan-2-yl]carbamate?
tert-butyl N-[(2S,3R)-3-hydroxybutan-2-yl]carbamate has a molecular weight of 189.25 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-3-hydroxybutan-2-yl]carbamate is sourced from PubChem (CID 11183099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).