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

C18H26N2O5 — CID 10807774

IUPACbenzyl N-[(2S)-1-[(4-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1COCC1O
InChIInChI=1S/C18H26N2O5/c1-12(2)8-14(17(22)19-15-10-24-11-16(15)21)20-18(23)25-9-13-6-4-3-5-7-13/h3-7,12,14-16,21H,8-11H2,1-2H3,(H,19,22)(H,20,23)/t14-,15?,16?/m0/s1
InChIKeySEGBQNJGOCXIGC-FHERZECASA-N
MW350.42 g/mol
LogP1.20
Rot. Bonds7

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

benzyl N-[(2S)-1-[(4-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 10807774) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[(4-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-[(4-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID10807774
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Namebenzyl N-[(2S)-1-[(4-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1COCC1O
InChIInChI=1S/C18H26N2O5/c1-12(2)8-14(17(22)19-15-10-24-11-16(15)21)20-18(23)25-9-13-6-4-3-5-7-13/h3-7,12,14-16,21H,8-11H2,1-2H3,(H,19,22)(H,20,23)/t14-,15?,16?/m0/s1
InChIKeySEGBQNJGOCXIGC-FHERZECASA-N
XLogP1.20
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[(4-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-[(4-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 10807774) is benzyl N-[(2S)-1-[(4-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-[(4-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-[(4-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1COCC1O.
What is the InChIKey of benzyl N-[(2S)-1-[(4-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is SEGBQNJGOCXIGC-FHERZECASA-N. The full InChI is InChI=1S/C18H26N2O5/c1-12(2)8-14(17(22)19-15-10-24-11-16(15)21)20-18(23)25-9-13-6-4-3-5-7-13/h3-7,12,14-16,21H,8-11H2,1-2H3,(H,19,22)(H,20,23)/t14-,15?,16?/m0/s1.
What are the key properties of benzyl N-[(2S)-1-[(4-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate?
benzyl N-[(2S)-1-[(4-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 350.42 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-[(4-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 10807774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).