benzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate

C14H20N2O3 — CID 54429154

IUPACbenzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate
SMILESCC(C)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-10(2)12(8-13(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)/t12-/m0/s1
InChIKeyWGGJCFNNECPOFX-LBPRGKRZSA-N
MW264.32 g/mol
LogP1.81
Rot. Bonds6

About benzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate

benzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate (PubChem CID 54429154) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is benzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate
PubChem CID54429154
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namebenzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate
SMILESCC(C)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-10(2)12(8-13(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)/t12-/m0/s1
InChIKeyWGGJCFNNECPOFX-LBPRGKRZSA-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

methyl (3S)-4-methyl-3-(phenylmethoxycarbonylamino)pentanoate
CID 71742201
ethyl (3S)-4-methyl-3-(phenylmethoxycarbonylamino)pentanoate
CID 54226118
iodomethyl 4-methyl-3-(phenylmethoxycarbonylamino)pentanoate
CID 122513704
benzyl N-(1-amino-5-methyl-1-oxohexan-3-yl)carbamate
CID 67715838
5-amino-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 152765825
5-fluoro-3-[[3-methyl-2-(phenylmethoxycarbonylamino)butyl]amino]-4-oxopentanoic acid
CID 170318118
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate
CID 118167943
benzyl N-[(2S)-4-amino-1-(dimethylamino)-1,4-dioxobutan-2-yl]carbamate
CID 102329953
(2-amino-2-oxoethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 15612755
benzyl N-(4-hydroxyhexan-3-yl)carbamate
CID 131068956
methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 12675847

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate?
The IUPAC name of benzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate (CID 54429154) is benzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate is CC(C)[C@H](CC(N)=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate?
The InChIKey is WGGJCFNNECPOFX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)12(8-13(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)/t12-/m0/s1.
What are the key properties of benzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate?
benzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-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-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate is sourced from PubChem (CID 54429154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).