[(2S)-2-methoxypropyl] N-tert-butylcarbamate

C9H19NO3 — CID 91447242

IUPAC[(2S)-2-methoxypropyl] N-tert-butylcarbamate
SMILESCO[C@@H](C)COC(=O)NC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-7(12-5)6-13-8(11)10-9(2,3)4/h7H,6H2,1-5H3,(H,10,11)/t7-/m0/s1
InChIKeyLROZCBQYGKTIPZ-ZETCQYMHSA-N
MW189.25 g/mol
LogP1.55
Rot. Bonds3

About [(2S)-2-methoxypropyl] N-tert-butylcarbamate

[(2S)-2-methoxypropyl] N-tert-butylcarbamate (PubChem CID 91447242) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is [(2S)-2-methoxypropyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2S)-2-methoxypropyl] N-tert-butylcarbamate
PubChem CID91447242
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name[(2S)-2-methoxypropyl] N-tert-butylcarbamate
SMILESCO[C@@H](C)COC(=O)NC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-7(12-5)6-13-8(11)10-9(2,3)4/h7H,6H2,1-5H3,(H,10,11)/t7-/m0/s1
InChIKeyLROZCBQYGKTIPZ-ZETCQYMHSA-N
XLogP1.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methoxypropyl] N-tert-butylcarbamate?
The IUPAC name of [(2S)-2-methoxypropyl] N-tert-butylcarbamate (CID 91447242) is [(2S)-2-methoxypropyl] N-tert-butylcarbamate.
What is the SMILES notation for [(2S)-2-methoxypropyl] N-tert-butylcarbamate?
The canonical SMILES for [(2S)-2-methoxypropyl] N-tert-butylcarbamate is CO[C@@H](C)COC(=O)NC(C)(C)C.
What is the InChIKey of [(2S)-2-methoxypropyl] N-tert-butylcarbamate?
The InChIKey is LROZCBQYGKTIPZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(12-5)6-13-8(11)10-9(2,3)4/h7H,6H2,1-5H3,(H,10,11)/t7-/m0/s1.
What are the key properties of [(2S)-2-methoxypropyl] N-tert-butylcarbamate?
[(2S)-2-methoxypropyl] N-tert-butylcarbamate has a molecular weight of 189.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methoxypropyl] N-tert-butylcarbamate is sourced from PubChem (CID 91447242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).