tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate

C8H16N2O2 — CID 84766300

IUPACtert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@H]1N
InChIInChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-5(6)9/h5-6H,4,9H2,1-3H3,(H,10,11)/t5-,6+/m1/s1
InChIKeyXDHLWTHTPXBYLH-RITPCOANSA-N
MW172.23 g/mol
LogP0.61
Rot. Bonds1

About tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate

tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate (PubChem CID 84766300) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
PubChem CID84766300
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Nametert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@H]1N
InChIInChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-5(6)9/h5-6H,4,9H2,1-3H3,(H,10,11)/t5-,6+/m1/s1
InChIKeyXDHLWTHTPXBYLH-RITPCOANSA-N
XLogP0.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-[(4S)-4-aminooxolan-3-yl]carbamate
CID 146408189
tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate
CID 46913549
tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate
CID 71775631
tert-butyl N-[(1S,2S,4S)-4-amino-2-methylcyclohexyl]carbamate
CID 86650624
tert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate
CID 143194113
O-tert-butyl N-[(1R,2S)-2-aminocyclopropyl]carbamothioate
CID 90360862
3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 83919551
tert-butyl N-[(1R,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate
CID 155904272
tert-butyl N-[(1S,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate
CID 130850378

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate (CID 84766300) is tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate is CC(C)(C)OC(=O)N[C@H]1C[C@H]1N.
What is the InChIKey of tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate?
The InChIKey is XDHLWTHTPXBYLH-RITPCOANSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-5(6)9/h5-6H,4,9H2,1-3H3,(H,10,11)/t5-,6+/m1/s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate?
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate has a molecular weight of 172.23 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate is sourced from PubChem (CID 84766300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).