methyl N-[(2S)-4-methoxybutan-2-yl]carbamate

C7H15NO3 — CID 151903056

IUPACmethyl N-[(2S)-4-methoxybutan-2-yl]carbamate
SMILESCOCC[C@H](C)NC(=O)OC
InChIInChI=1S/C7H15NO3/c1-6(4-5-10-2)8-7(9)11-3/h6H,4-5H2,1-3H3,(H,8,9)/t6-/m0/s1
InChIKeySTDYRLCGVRBOHN-LURJTMIESA-N
MW161.20 g/mol
LogP0.77
Rot. Bonds4

About methyl N-[(2S)-4-methoxybutan-2-yl]carbamate

methyl N-[(2S)-4-methoxybutan-2-yl]carbamate (PubChem CID 151903056) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is methyl N-[(2S)-4-methoxybutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-4-methoxybutan-2-yl]carbamate
PubChem CID151903056
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namemethyl N-[(2S)-4-methoxybutan-2-yl]carbamate
SMILESCOCC[C@H](C)NC(=O)OC
InChIInChI=1S/C7H15NO3/c1-6(4-5-10-2)8-7(9)11-3/h6H,4-5H2,1-3H3,(H,8,9)/t6-/m0/s1
InChIKeySTDYRLCGVRBOHN-LURJTMIESA-N
XLogP0.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-4-methoxybutan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-4-methoxybutan-2-yl]carbamate (CID 151903056) is methyl N-[(2S)-4-methoxybutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-4-methoxybutan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-4-methoxybutan-2-yl]carbamate is COCC[C@H](C)NC(=O)OC.
What is the InChIKey of methyl N-[(2S)-4-methoxybutan-2-yl]carbamate?
The InChIKey is STDYRLCGVRBOHN-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO3/c1-6(4-5-10-2)8-7(9)11-3/h6H,4-5H2,1-3H3,(H,8,9)/t6-/m0/s1.
What are the key properties of methyl N-[(2S)-4-methoxybutan-2-yl]carbamate?
methyl N-[(2S)-4-methoxybutan-2-yl]carbamate has a molecular weight of 161.20 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-4-methoxybutan-2-yl]carbamate is sourced from PubChem (CID 151903056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).