tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate

C14H20N2O3 — CID 546323

IUPACtert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)C(N)=O
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-11(12(15)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyDHUPSFPAFRFQRO-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.61
Rot. Bonds4

About tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate

tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate (PubChem CID 546323) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
PubChem CID546323
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)C(N)=O
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-11(12(15)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyDHUPSFPAFRFQRO-UHFFFAOYSA-N
XLogP1.61
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 141164867
tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 58912430
tert-butyl N-[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 102407295
tert-butyl N-[(2R)-1-[[(2R)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 40793871
tert-butyl N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 15030956
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4-phenylbutanoic acid
CID 18786657
CID 101486195
CID 101486195
lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 174145347
tert-butyl N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 140888192
tert-butyl N-(3-oxo-1-phenylpentan-2-yl)carbamate
CID 20726658
tert-butyl N-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 15225080
tert-butyl N-[1-amino-3-(3-bromophenyl)-1-oxopropan-2-yl]carbamate
CID 12831198

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate (CID 546323) is tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate is CC(C)(C)OC(=O)NC(Cc1ccccc1)C(N)=O.
What is the InChIKey of tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate?
The InChIKey is DHUPSFPAFRFQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-11(12(15)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate?
tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate has a molecular weight of 264.32 g/mol, XLogP of 1.61, 4 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-1-oxo-3-phenylpropan-2-yl)carbamate is sourced from PubChem (CID 546323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).