tert-butyl-[(3R,6S)-6-(2-hydroxyethyl)oxan-3-yl]carbamic acid

C12H23NO4 — CID 70871883

IUPACtert-butyl-[(3R,6S)-6-(2-hydroxyethyl)oxan-3-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1CC[C@@H](CCO)OC1
InChIInChI=1S/C12H23NO4/c1-12(2,3)13(11(15)16)9-4-5-10(6-7-14)17-8-9/h9-10,14H,4-8H2,1-3H3,(H,15,16)/t9-,10+/m1/s1
InChIKeyRBYSVPHNWURAKC-ZJUUUORDSA-N
MW245.32 g/mol
LogP1.69
Rot. Bonds3

About tert-butyl-[(3R,6S)-6-(2-hydroxyethyl)oxan-3-yl]carbamic acid

tert-butyl-[(3R,6S)-6-(2-hydroxyethyl)oxan-3-yl]carbamic acid (PubChem CID 70871883) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is tert-butyl-[(3R,6S)-6-(2-hydroxyethyl)oxan-3-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(3R,6S)-6-(2-hydroxyethyl)oxan-3-yl]carbamic acid
PubChem CID70871883
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nametert-butyl-[(3R,6S)-6-(2-hydroxyethyl)oxan-3-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1CC[C@@H](CCO)OC1
InChIInChI=1S/C12H23NO4/c1-12(2,3)13(11(15)16)9-4-5-10(6-7-14)17-8-9/h9-10,14H,4-8H2,1-3H3,(H,15,16)/t9-,10+/m1/s1
InChIKeyRBYSVPHNWURAKC-ZJUUUORDSA-N
XLogP1.69
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,6S)-6-(2-hydroxyethyl)oxan-3-yl]carbamic acid?
The IUPAC name of tert-butyl-[(3R,6S)-6-(2-hydroxyethyl)oxan-3-yl]carbamic acid (CID 70871883) is tert-butyl-[(3R,6S)-6-(2-hydroxyethyl)oxan-3-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(3R,6S)-6-(2-hydroxyethyl)oxan-3-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(3R,6S)-6-(2-hydroxyethyl)oxan-3-yl]carbamic acid is CC(C)(C)N(C(=O)O)[C@@H]1CC[C@@H](CCO)OC1.
What is the InChIKey of tert-butyl-[(3R,6S)-6-(2-hydroxyethyl)oxan-3-yl]carbamic acid?
The InChIKey is RBYSVPHNWURAKC-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H23NO4/c1-12(2,3)13(11(15)16)9-4-5-10(6-7-14)17-8-9/h9-10,14H,4-8H2,1-3H3,(H,15,16)/t9-,10+/m1/s1.
What are the key properties of tert-butyl-[(3R,6S)-6-(2-hydroxyethyl)oxan-3-yl]carbamic acid?
tert-butyl-[(3R,6S)-6-(2-hydroxyethyl)oxan-3-yl]carbamic acid has a molecular weight of 245.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,6S)-6-(2-hydroxyethyl)oxan-3-yl]carbamic acid is sourced from PubChem (CID 70871883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).