benzyl N-(1-amino-5-methyl-1-oxohexan-3-yl)carbamate

C15H22N2O3 — CID 67715838

IUPACbenzyl N-(1-amino-5-methyl-1-oxohexan-3-yl)carbamate
SMILESCC(C)CC(CC(N)=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(2)8-13(9-14(16)18)17-15(19)20-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyHBPSMSMLYYZXTI-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.20
Rot. Bonds7

About benzyl N-(1-amino-5-methyl-1-oxohexan-3-yl)carbamate

benzyl N-(1-amino-5-methyl-1-oxohexan-3-yl)carbamate (PubChem CID 67715838) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is benzyl N-(1-amino-5-methyl-1-oxohexan-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-amino-5-methyl-1-oxohexan-3-yl)carbamate
PubChem CID67715838
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namebenzyl N-(1-amino-5-methyl-1-oxohexan-3-yl)carbamate
SMILESCC(C)CC(CC(N)=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(2)8-13(9-14(16)18)17-15(19)20-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyHBPSMSMLYYZXTI-UHFFFAOYSA-N
XLogP2.20
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5-methyl-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 11265942
benzyl N-(2-methyl-6-oxoheptan-4-yl)carbamate
CID 11780822
5-amino-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 152765825
benzyl N-[1-(2-amino-2-oxoethoxy)-4-methylpentan-2-yl]carbamate
CID 23316640
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
CID 5147892
benzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate
CID 54429154
benzyl N-(1-formamido-4-methylpentan-2-yl)carbamate
CID 139240042
2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl]amino]acetic acid
CID 18603240
benzyl N-[(2R)-4-amino-1-[[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
CID 7224871
benzyl N-[(3S)-5-methyl-1-methylsulfonylhexan-3-yl]carbamate
CID 70795374
[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl] methanesulfonate
CID 10664127
methyl (2S)-2-[[6-methyl-2-oxo-4-(phenylmethoxycarbonylamino)heptanoyl]amino]-3-phenylpropanoate
CID 177479953

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-amino-5-methyl-1-oxohexan-3-yl)carbamate?
The IUPAC name of benzyl N-(1-amino-5-methyl-1-oxohexan-3-yl)carbamate (CID 67715838) is benzyl N-(1-amino-5-methyl-1-oxohexan-3-yl)carbamate.
What is the SMILES notation for benzyl N-(1-amino-5-methyl-1-oxohexan-3-yl)carbamate?
The canonical SMILES for benzyl N-(1-amino-5-methyl-1-oxohexan-3-yl)carbamate is CC(C)CC(CC(N)=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-amino-5-methyl-1-oxohexan-3-yl)carbamate?
The InChIKey is HBPSMSMLYYZXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)8-13(9-14(16)18)17-15(19)20-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of benzyl N-(1-amino-5-methyl-1-oxohexan-3-yl)carbamate?
benzyl N-(1-amino-5-methyl-1-oxohexan-3-yl)carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-amino-5-methyl-1-oxohexan-3-yl)carbamate is sourced from PubChem (CID 67715838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).