benzyl N-[1-(2-amino-2-oxoethoxy)-4-methylpentan-2-yl]carbamate

C16H24N2O4 — CID 23316640

IUPACbenzyl N-[1-(2-amino-2-oxoethoxy)-4-methylpentan-2-yl]carbamate
SMILESCC(C)CC(COCC(N)=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C16H24N2O4/c1-12(2)8-14(10-21-11-15(17)19)18-16(20)22-9-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyJSNJTCUZUOVVLK-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.83
Rot. Bonds9

About benzyl N-[1-(2-amino-2-oxoethoxy)-4-methylpentan-2-yl]carbamate

benzyl N-[1-(2-amino-2-oxoethoxy)-4-methylpentan-2-yl]carbamate (PubChem CID 23316640) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is benzyl N-[1-(2-amino-2-oxoethoxy)-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(2-amino-2-oxoethoxy)-4-methylpentan-2-yl]carbamate
PubChem CID23316640
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Namebenzyl N-[1-(2-amino-2-oxoethoxy)-4-methylpentan-2-yl]carbamate
SMILESCC(C)CC(COCC(N)=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C16H24N2O4/c1-12(2)8-14(10-21-11-15(17)19)18-16(20)22-9-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyJSNJTCUZUOVVLK-UHFFFAOYSA-N
XLogP1.83
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(1-amino-5-methyl-1-oxohexan-3-yl)carbamate
CID 67715838
(3S)-5-methyl-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 11265942
[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl] methanesulfonate
CID 10664127
benzyl N-(2-methyl-6-oxoheptan-4-yl)carbamate
CID 11780822
benzyl N-(1-formamido-4-methylpentan-2-yl)carbamate
CID 139240042
benzyl N-[(3S)-5-methyl-1-methylsulfonylhexan-3-yl]carbamate
CID 70795374
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
CID 5147892
(2-amino-2-oxoethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 15612755
2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentyl]amino]acetic acid
CID 18603240
benzyl (2R)-2-[[(2S)-1-(2-amino-2-oxoethoxy)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 57251390
benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 14506335
benzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate
CID 175450734

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(2-amino-2-oxoethoxy)-4-methylpentan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-(2-amino-2-oxoethoxy)-4-methylpentan-2-yl]carbamate (CID 23316640) is benzyl N-[1-(2-amino-2-oxoethoxy)-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(2-amino-2-oxoethoxy)-4-methylpentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-(2-amino-2-oxoethoxy)-4-methylpentan-2-yl]carbamate is CC(C)CC(COCC(N)=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(2-amino-2-oxoethoxy)-4-methylpentan-2-yl]carbamate?
The InChIKey is JSNJTCUZUOVVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-12(2)8-14(10-21-11-15(17)19)18-16(20)22-9-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of benzyl N-[1-(2-amino-2-oxoethoxy)-4-methylpentan-2-yl]carbamate?
benzyl N-[1-(2-amino-2-oxoethoxy)-4-methylpentan-2-yl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(2-amino-2-oxoethoxy)-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 23316640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).