(1-amino-1-oxopropan-2-yl) N-tert-butylcarbamate

C8H16N2O3 — CID 174489750

IUPAC(1-amino-1-oxopropan-2-yl) N-tert-butylcarbamate
SMILESCC(OC(=O)NC(C)(C)C)C(N)=O
InChIInChI=1S/C8H16N2O3/c1-5(6(9)11)13-7(12)10-8(2,3)4/h5H,1-4H3,(H2,9,11)(H,10,12)
InChIKeyPWNFCUBKTLJTHG-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.38
Rot. Bonds2

About (1-amino-1-oxopropan-2-yl) N-tert-butylcarbamate

(1-amino-1-oxopropan-2-yl) N-tert-butylcarbamate (PubChem CID 174489750) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) N-tert-butylcarbamate
PubChem CID174489750
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(1-amino-1-oxopropan-2-yl) N-tert-butylcarbamate
SMILESCC(OC(=O)NC(C)(C)C)C(N)=O
InChIInChI=1S/C8H16N2O3/c1-5(6(9)11)13-7(12)10-8(2,3)4/h5H,1-4H3,(H2,9,11)(H,10,12)
InChIKeyPWNFCUBKTLJTHG-UHFFFAOYSA-N
XLogP0.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)butan-2-yl N-tert-butylcarbamate
CID 118420980
[(2S)-but-3-yn-2-yl] N-tert-butylcarbamate
CID 142798717
[(1S)-2-amino-1-cycloheptyl-2-oxoethyl] N-tert-butylcarbamate
CID 175449330
tert-butylcarbamoyl (2S)-2-aminopropanoate
CID 90807776
[(2S)-1-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate
CID 174937493
(2S)-2-(tert-butylcarbamoyloxy)-3,3-dimethylbutanoic acid
CID 58690969
ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate
CID 174901087
[(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate
CID 54532018
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
[(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate
CID 129383287
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
2-methoxypropyl N-tert-butylcarbamate
CID 174838814

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) N-tert-butylcarbamate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) N-tert-butylcarbamate (CID 174489750) is (1-amino-1-oxopropan-2-yl) N-tert-butylcarbamate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) N-tert-butylcarbamate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) N-tert-butylcarbamate is CC(OC(=O)NC(C)(C)C)C(N)=O.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) N-tert-butylcarbamate?
The InChIKey is PWNFCUBKTLJTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(6(9)11)13-7(12)10-8(2,3)4/h5H,1-4H3,(H2,9,11)(H,10,12).
What are the key properties of (1-amino-1-oxopropan-2-yl) N-tert-butylcarbamate?
(1-amino-1-oxopropan-2-yl) N-tert-butylcarbamate has a molecular weight of 188.23 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxopropan-2-yl) N-tert-butylcarbamate is sourced from PubChem (CID 174489750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).