tert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate

C16H24N2O3 — CID 175023120

IUPACtert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CCC(N)=O)Cc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-13(9-10-14(17)19)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyKRXDPWRZLUHAAO-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.39
Rot. Bonds6

About tert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate

tert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate (PubChem CID 175023120) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate
PubChem CID175023120
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CCC(N)=O)Cc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-13(9-10-14(17)19)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyKRXDPWRZLUHAAO-UHFFFAOYSA-N
XLogP2.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid
CID 122210174
tert-butyl N-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]selanyl-3-phenylpropan-2-yl]carbamate
CID 102155876
tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate
CID 57094161
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate
CID 162715602
[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl] methanesulfonate
CID 90242861
tert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate
CID 76601807
tert-butyl N-[(2S)-4-oxo-1-phenylbutan-2-yl]carbamate
CID 10015626
tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate
CID 142063959
tert-butyl N-(4-oxo-1-phenylbutan-2-yl)carbamate
CID 14804348
tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 546323
S-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] ethanethioate
CID 11077758

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate (CID 175023120) is tert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate is CC(C)(C)OC(=O)NC(CCC(N)=O)Cc1ccccc1.
What is the InChIKey of tert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate?
The InChIKey is KRXDPWRZLUHAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-13(9-10-14(17)19)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H2,17,19)(H,18,20).
What are the key properties of tert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate?
tert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate has a molecular weight of 292.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate is sourced from PubChem (CID 175023120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).