benzyl N-[(2S)-1-[[(2S)-4-methoxy-3-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

C19H28N2O5 — CID 23648441

IUPACbenzyl N-[(2S)-1-[[(2S)-4-methoxy-3-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCOCC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H28N2O5/c1-13(2)10-16(18(23)20-14(3)17(22)12-25-4)21-19(24)26-11-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,20,23)(H,21,24)/t14-,16-/m0/s1
InChIKeyJOOITSNPEJONKV-HOCLYGCPSA-N
MW364.44 g/mol
LogP2.05
Rot. Bonds10

About benzyl N-[(2S)-1-[[(2S)-4-methoxy-3-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

benzyl N-[(2S)-1-[[(2S)-4-methoxy-3-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 23648441) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[[(2S)-4-methoxy-3-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-[[(2S)-4-methoxy-3-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID23648441
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Namebenzyl N-[(2S)-1-[[(2S)-4-methoxy-3-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCOCC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H28N2O5/c1-13(2)10-16(18(23)20-14(3)17(22)12-25-4)21-19(24)26-11-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,20,23)(H,21,24)/t14-,16-/m0/s1
InChIKeyJOOITSNPEJONKV-HOCLYGCPSA-N
XLogP2.05
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[[(2S)-4-methoxy-3-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-[[(2S)-4-methoxy-3-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 23648441) is benzyl N-[(2S)-1-[[(2S)-4-methoxy-3-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-[[(2S)-4-methoxy-3-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-[[(2S)-4-methoxy-3-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is COCC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-[[(2S)-4-methoxy-3-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is JOOITSNPEJONKV-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-13(2)10-16(18(23)20-14(3)17(22)12-25-4)21-19(24)26-11-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,20,23)(H,21,24)/t14-,16-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-[[(2S)-4-methoxy-3-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
benzyl N-[(2S)-1-[[(2S)-4-methoxy-3-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 364.44 g/mol, XLogP of 2.05, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-[[(2S)-4-methoxy-3-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 23648441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).