tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate

C11H24N2O3 — CID 166938037

IUPACtert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate
SMILESC[C@H](N)COCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O3/c1-9(12)8-15-7-6-13(5)10(14)16-11(2,3)4/h9H,6-8,12H2,1-5H3/t9-/m0/s1
InChIKeyOFTKFMGXPTWIPO-VIFPVBQESA-N
MW232.32 g/mol
LogP1.22
Rot. Bonds5

About tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate

tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate (PubChem CID 166938037) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate
PubChem CID166938037
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Nametert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate
SMILESC[C@H](N)COCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O3/c1-9(12)8-15-7-6-13(5)10(14)16-11(2,3)4/h9H,6-8,12H2,1-5H3/t9-/m0/s1
InChIKeyOFTKFMGXPTWIPO-VIFPVBQESA-N
XLogP1.22
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
tert-butyl N-(2-aminopropoxy)-N-methylcarbamate
CID 105456367
tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate
CID 178173815
tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate
CID 63753489
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylpropanoate
CID 137320757
3-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]propanoic acid
CID 170906120
2-[2-[2-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 139578947
tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate
CID 155943485
tert-butyl N-(2-but-1-en-2-yloxyethyl)-N-methylcarbamate
CID 166698146
(2S)-3-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 135236648
methyl (2S)-3-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-2-(phenylmethoxycarbonylamino)propanoate
CID 66652292
tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate (CID 166938037) is tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate is C[C@H](N)COCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate?
The InChIKey is OFTKFMGXPTWIPO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H24N2O3/c1-9(12)8-15-7-6-13(5)10(14)16-11(2,3)4/h9H,6-8,12H2,1-5H3/t9-/m0/s1.
What are the key properties of tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate has a molecular weight of 232.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate is sourced from PubChem (CID 166938037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).