tert-butyl N-(1-amino-3,3-dicyclopropyl-1-oxopropan-2-yl)carbamate

C14H24N2O3 — CID 166470828

IUPACtert-butyl N-(1-amino-3,3-dicyclopropyl-1-oxopropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(C(N)=O)C(C1CC1)C1CC1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)16-11(12(15)17)10(8-4-5-8)9-6-7-9/h8-11H,4-7H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyHXBGBOFEWWZLBR-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.80
Rot. Bonds5

About tert-butyl N-(1-amino-3,3-dicyclopropyl-1-oxopropan-2-yl)carbamate

tert-butyl N-(1-amino-3,3-dicyclopropyl-1-oxopropan-2-yl)carbamate (PubChem CID 166470828) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl N-(1-amino-3,3-dicyclopropyl-1-oxopropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-amino-3,3-dicyclopropyl-1-oxopropan-2-yl)carbamate
PubChem CID166470828
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl N-(1-amino-3,3-dicyclopropyl-1-oxopropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(C(N)=O)C(C1CC1)C1CC1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)16-11(12(15)17)10(8-4-5-8)9-6-7-9/h8-11H,4-7H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyHXBGBOFEWWZLBR-UHFFFAOYSA-N
XLogP1.80
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate
CID 175433446
tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 11367915
(2S,3S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 130332365
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323
dimethyl (2S,3R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 10474650
tert-butyl (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 101268797
tert-butyl N-[1-(4-aminocyclohexyl)ethyl]carbamate
CID 57465844
(2S,3S)-4-amino-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 13488982
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 7015295
(2,3,4,6-tetrafluoro-5-prop-2-enylphenyl) (2S)-3,3-dicyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 166899505
tert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate
CID 130156540
(4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 169118256

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-amino-3,3-dicyclopropyl-1-oxopropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-amino-3,3-dicyclopropyl-1-oxopropan-2-yl)carbamate (CID 166470828) is tert-butyl N-(1-amino-3,3-dicyclopropyl-1-oxopropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-amino-3,3-dicyclopropyl-1-oxopropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-amino-3,3-dicyclopropyl-1-oxopropan-2-yl)carbamate is CC(C)(C)OC(=O)NC(C(N)=O)C(C1CC1)C1CC1.
What is the InChIKey of tert-butyl N-(1-amino-3,3-dicyclopropyl-1-oxopropan-2-yl)carbamate?
The InChIKey is HXBGBOFEWWZLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)16-11(12(15)17)10(8-4-5-8)9-6-7-9/h8-11H,4-7H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of tert-butyl N-(1-amino-3,3-dicyclopropyl-1-oxopropan-2-yl)carbamate?
tert-butyl N-(1-amino-3,3-dicyclopropyl-1-oxopropan-2-yl)carbamate has a molecular weight of 268.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-amino-3,3-dicyclopropyl-1-oxopropan-2-yl)carbamate is sourced from PubChem (CID 166470828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).