benzyl N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]carbamate

C17H25N3O3 — CID 44560826

IUPACbenzyl N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]carbamate
SMILESN[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C17H25N3O3/c18-15(16(21)20-11-4-5-12-20)9-6-10-19-17(22)23-13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13,18H2,(H,19,22)/t15-/m0/s1
InChIKeyHVUCUDQSNADOAT-HNNXBMFYSA-N
MW319.40 g/mol
LogP1.64
Rot. Bonds7

About benzyl N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]carbamate

benzyl N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]carbamate (PubChem CID 44560826) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is benzyl N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]carbamate
PubChem CID44560826
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Namebenzyl N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]carbamate
SMILESN[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C17H25N3O3/c18-15(16(21)20-11-4-5-12-20)9-6-10-19-17(22)23-13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13,18H2,(H,19,22)/t15-/m0/s1
InChIKeyHVUCUDQSNADOAT-HNNXBMFYSA-N
XLogP1.64
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]carbamate?
The IUPAC name of benzyl N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]carbamate (CID 44560826) is benzyl N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]carbamate.
What is the SMILES notation for benzyl N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]carbamate?
The canonical SMILES for benzyl N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]carbamate is N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N1CCCC1.
What is the InChIKey of benzyl N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]carbamate?
The InChIKey is HVUCUDQSNADOAT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O3/c18-15(16(21)20-11-4-5-12-20)9-6-10-19-17(22)23-13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13,18H2,(H,19,22)/t15-/m0/s1.
What are the key properties of benzyl N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]carbamate?
benzyl N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]carbamate has a molecular weight of 319.40 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]carbamate is sourced from PubChem (CID 44560826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).