tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate

C10H20N2O2 — CID 67446222

IUPACtert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H](N)C1CC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-8(11)7-4-5-7/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t8-/m1/s1
InChIKeyBZVMTGHIUOJVJE-MRVPVSSYSA-N
MW200.28 g/mol
LogP1.25
Rot. Bonds3

About tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate

tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate (PubChem CID 67446222) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
PubChem CID67446222
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H](N)C1CC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-8(11)7-4-5-7/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t8-/m1/s1
InChIKeyBZVMTGHIUOJVJE-MRVPVSSYSA-N
XLogP1.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 84723673
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tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate
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tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate
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tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 116861144
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate
CID 103729667
tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate
CID 175690167
methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
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tert-butyl N-[3-amino-2-(2,2-dicyclopropylethylamino)propyl]carbamate
CID 102730275

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate (CID 67446222) is tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate is CC(C)(C)OC(=O)NC[C@@H](N)C1CC1.
What is the InChIKey of tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate?
The InChIKey is BZVMTGHIUOJVJE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-8(11)7-4-5-7/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t8-/m1/s1.
What are the key properties of tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate?
tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate has a molecular weight of 200.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate is sourced from PubChem (CID 67446222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).