methyl N-[(2S)-1-aminopropan-2-yl]carbamate

C5H12N2O2 — CID 71721514

IUPACmethyl N-[(2S)-1-aminopropan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](C)CN
InChIInChI=1S/C5H12N2O2/c1-4(3-6)7-5(8)9-2/h4H,3,6H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyVAYYLOQTRPJVAQ-BYPYZUCNSA-N
MW132.16 g/mol
LogP-0.31
Rot. Bonds2

About methyl N-[(2S)-1-aminopropan-2-yl]carbamate

methyl N-[(2S)-1-aminopropan-2-yl]carbamate (PubChem CID 71721514) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is methyl N-[(2S)-1-aminopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-1-aminopropan-2-yl]carbamate
PubChem CID71721514
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Namemethyl N-[(2S)-1-aminopropan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](C)CN
InChIInChI=1S/C5H12N2O2/c1-4(3-6)7-5(8)9-2/h4H,3,6H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyVAYYLOQTRPJVAQ-BYPYZUCNSA-N
XLogP-0.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-1-aminopropan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-1-aminopropan-2-yl]carbamate (CID 71721514) is methyl N-[(2S)-1-aminopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-1-aminopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-1-aminopropan-2-yl]carbamate is COC(=O)N[C@@H](C)CN.
What is the InChIKey of methyl N-[(2S)-1-aminopropan-2-yl]carbamate?
The InChIKey is VAYYLOQTRPJVAQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-4(3-6)7-5(8)9-2/h4H,3,6H2,1-2H3,(H,7,8)/t4-/m0/s1.
What are the key properties of methyl N-[(2S)-1-aminopropan-2-yl]carbamate?
methyl N-[(2S)-1-aminopropan-2-yl]carbamate has a molecular weight of 132.16 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-1-aminopropan-2-yl]carbamate is sourced from PubChem (CID 71721514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).