benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate

C14H20N2O3 — CID 5147892

IUPACbenzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
SMILESCC(C)CC(NC(=O)OCc1ccccc1)C(N)=O
InChIInChI=1S/C14H20N2O3/c1-10(2)8-12(13(15)17)16-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyJZEYMGMOBIYUOV-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.81
Rot. Bonds6

About benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate

benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate (PubChem CID 5147892) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
PubChem CID5147892
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namebenzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
SMILESCC(C)CC(NC(=O)OCc1ccccc1)C(N)=O
InChIInChI=1S/C14H20N2O3/c1-10(2)8-12(13(15)17)16-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyJZEYMGMOBIYUOV-UHFFFAOYSA-N
XLogP1.81
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 14506335
benzyl N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]carbamate
CID 14404662
pyridin-4-ylmethyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate
CID 70009903
benzyl N-[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 4681743
methyl (2S)-4-methyl-2-[[(2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate
CID 7237625
(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid
CID 6992475
benzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate
CID 175450734
benzyl N-[(2S)-1-[[(2S)-1-[[(3S)-1-hydroxy-5-methyl-2-oxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 67703494
benzyl N-(1,3-diamino-1-oxopropan-2-yl)carbamate
CID 130155607
benzyl N-[(2S)-1-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 14237530
(4S)-5-amino-2-tert-butyl-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 172680802
benzyl N-[(2R)-4-amino-1-[[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
CID 7224871

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate?
The IUPAC name of benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate (CID 5147892) is benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate.
What is the SMILES notation for benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate?
The canonical SMILES for benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate is CC(C)CC(NC(=O)OCc1ccccc1)C(N)=O.
What is the InChIKey of benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate?
The InChIKey is JZEYMGMOBIYUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)8-12(13(15)17)16-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate?
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate has a molecular weight of 264.32 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate is sourced from PubChem (CID 5147892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).