tert-butyl N-[(2R)-1-amino-3-cyclopropylpropan-2-yl]-N-methylcarbamate

C12H24N2O2 — CID 169096210

IUPACtert-butyl N-[(2R)-1-amino-3-cyclopropylpropan-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H](CN)CC1CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14(4)10(8-13)7-9-5-6-9/h9-10H,5-8,13H2,1-4H3/t10-/m1/s1
InChIKeyJOQZGKRWLSYBJC-SNVBAGLBSA-N
MW228.34 g/mol
LogP1.98
Rot. Bonds4

About tert-butyl N-[(2R)-1-amino-3-cyclopropylpropan-2-yl]-N-methylcarbamate

tert-butyl N-[(2R)-1-amino-3-cyclopropylpropan-2-yl]-N-methylcarbamate (PubChem CID 169096210) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-amino-3-cyclopropylpropan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-amino-3-cyclopropylpropan-2-yl]-N-methylcarbamate
PubChem CID169096210
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-[(2R)-1-amino-3-cyclopropylpropan-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H](CN)CC1CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14(4)10(8-13)7-9-5-6-9/h9-10H,5-8,13H2,1-4H3/t10-/m1/s1
InChIKeyJOQZGKRWLSYBJC-SNVBAGLBSA-N
XLogP1.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-cyclobutyl-3-hydroxypropan-2-yl)-N-methylcarbamate
CID 116861117
3-cyclobutyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 116861122
tert-butyl N-methyl-N-pentan-3-ylcarbamate
CID 63787817
tert-butyl N-[(2S)-1-amino-3-(oxan-4-yl)-1-oxopropan-2-yl]-N-methylcarbamate
CID 58330029
3-amino-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 167720958
tert-butyl N-[1-amino-3-(1H-pyrrol-2-yl)propan-2-yl]-N-methylcarbamate
CID 116861058
tert-butyl (2S)-2-amino-3-cyclopropylpropanoate
CID 12018345
tert-butyl N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-N-methylcarbamate
CID 87312675
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
(3S)-3-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 90086761
tert-butyl N-[1-amino-3-(1H-pyrrol-3-yl)propan-2-yl]-N-methylcarbamate
CID 116861059
tert-butyl N-[(3R)-1-amino-3-cycloheptyl-3-hydroxypropyl]-N-methylcarbamate
CID 67188506

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-amino-3-cyclopropylpropan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(2R)-1-amino-3-cyclopropylpropan-2-yl]-N-methylcarbamate (CID 169096210) is tert-butyl N-[(2R)-1-amino-3-cyclopropylpropan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-amino-3-cyclopropylpropan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-amino-3-cyclopropylpropan-2-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)[C@@H](CN)CC1CC1.
What is the InChIKey of tert-butyl N-[(2R)-1-amino-3-cyclopropylpropan-2-yl]-N-methylcarbamate?
The InChIKey is JOQZGKRWLSYBJC-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14(4)10(8-13)7-9-5-6-9/h9-10H,5-8,13H2,1-4H3/t10-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-amino-3-cyclopropylpropan-2-yl]-N-methylcarbamate?
tert-butyl N-[(2R)-1-amino-3-cyclopropylpropan-2-yl]-N-methylcarbamate has a molecular weight of 228.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-amino-3-cyclopropylpropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 169096210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).