benzyl N-[2-hydroxy-4-methyl-1-oxo-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate

C18H26N2O4 — CID 154362840

IUPACbenzyl N-[2-hydroxy-4-methyl-1-oxo-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate
SMILESCC(C)C(NC(=O)OCc1ccccc1)C(O)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C18H26N2O4/c1-12(2)15(17(22)16(21)14-9-6-10-19-14)20-18(23)24-11-13-7-4-3-5-8-13/h3-5,7-8,12,14-15,17,19,22H,6,9-11H2,1-2H3,(H,20,23)/t14-,15?,17?/m0/s1
InChIKeyNLJFVCZIKLEFQH-UQPPLGOBSA-N
MW334.42 g/mol
LogP1.62
Rot. Bonds7

About benzyl N-[2-hydroxy-4-methyl-1-oxo-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate

benzyl N-[2-hydroxy-4-methyl-1-oxo-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate (PubChem CID 154362840) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is benzyl N-[2-hydroxy-4-methyl-1-oxo-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-hydroxy-4-methyl-1-oxo-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate
PubChem CID154362840
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namebenzyl N-[2-hydroxy-4-methyl-1-oxo-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate
SMILESCC(C)C(NC(=O)OCc1ccccc1)C(O)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C18H26N2O4/c1-12(2)15(17(22)16(21)14-9-6-10-19-14)20-18(23)24-11-13-7-4-3-5-8-13/h3-5,7-8,12,14-15,17,19,22H,6,9-11H2,1-2H3,(H,20,23)/t14-,15?,17?/m0/s1
InChIKeyNLJFVCZIKLEFQH-UQPPLGOBSA-N
XLogP1.62
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate
CID 174989409
benzyl (3S)-2-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate
CID 54550045
[2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetyl] (2S)-pyrrolidine-2-carboxylate
CID 135315135
benzyl 3-(pyrrolidine-2-carbonylamino)butanoate
CID 18339709
benzyl N-(1-piperidin-2-ylethyl)carbamate
CID 84710780
benzyl N-[3-chloro-2,4-dioxo-4-[(2R)-pyrrolidin-2-yl]butyl]carbamate
CID 57024973
2-aminopropanoic acid;benzyl pyrrolidine-2-carboxylate
CID 19802280
benzyl (2S)-3,3-diphenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoate
CID 154612158
benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
CID 42885017
benzyl N-[(2S,3R)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]carbamate
CID 98010092
2-[[2-(phenylmethoxycarbonylamino)acetyl]-(pyrrolidine-2-carbonyl)amino]propanoic acid
CID 67827713
benzyl N-[(2S)-1-[(2,3-dioxoazepan-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 130420335

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-hydroxy-4-methyl-1-oxo-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate?
The IUPAC name of benzyl N-[2-hydroxy-4-methyl-1-oxo-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate (CID 154362840) is benzyl N-[2-hydroxy-4-methyl-1-oxo-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[2-hydroxy-4-methyl-1-oxo-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate?
The canonical SMILES for benzyl N-[2-hydroxy-4-methyl-1-oxo-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate is CC(C)C(NC(=O)OCc1ccccc1)C(O)C(=O)[C@@H]1CCCN1.
What is the InChIKey of benzyl N-[2-hydroxy-4-methyl-1-oxo-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate?
The InChIKey is NLJFVCZIKLEFQH-UQPPLGOBSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12(2)15(17(22)16(21)14-9-6-10-19-14)20-18(23)24-11-13-7-4-3-5-8-13/h3-5,7-8,12,14-15,17,19,22H,6,9-11H2,1-2H3,(H,20,23)/t14-,15?,17?/m0/s1.
What are the key properties of benzyl N-[2-hydroxy-4-methyl-1-oxo-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate?
benzyl N-[2-hydroxy-4-methyl-1-oxo-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate has a molecular weight of 334.42 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-hydroxy-4-methyl-1-oxo-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate is sourced from PubChem (CID 154362840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).