[(2S)-1-undecanoylpyrrolidin-2-yl] N-(5-aminopentyl)carbamate

C21H41N3O3 — CID 69288071

IUPAC[(2S)-1-undecanoylpyrrolidin-2-yl] N-(5-aminopentyl)carbamate
SMILESCCCCCCCCCCC(=O)N1CCC[C@@H]1OC(=O)NCCCCCN
InChIInChI=1S/C21H41N3O3/c1-2-3-4-5-6-7-8-10-14-19(25)24-18-13-15-20(24)27-21(26)23-17-12-9-11-16-22/h20H,2-18,22H2,1H3,(H,23,26)/t20-/m0/s1
InChIKeyFTYSFTZOZJJDKK-FQEVSTJZSA-N
MW383.58 g/mol
LogP4.32
Rot. Bonds15

About [(2S)-1-undecanoylpyrrolidin-2-yl] N-(5-aminopentyl)carbamate

[(2S)-1-undecanoylpyrrolidin-2-yl] N-(5-aminopentyl)carbamate (PubChem CID 69288071) has the molecular formula C21H41N3O3 and a molecular weight of 383.58 g/mol. Its IUPAC name is [(2S)-1-undecanoylpyrrolidin-2-yl] N-(5-aminopentyl)carbamate.

Molecular Properties

Compound Name[(2S)-1-undecanoylpyrrolidin-2-yl] N-(5-aminopentyl)carbamate
PubChem CID69288071
Molecular FormulaC21H41N3O3
Molecular Weight383.58 g/mol
Exact Mass383.31
IUPAC Name[(2S)-1-undecanoylpyrrolidin-2-yl] N-(5-aminopentyl)carbamate
SMILESCCCCCCCCCCC(=O)N1CCC[C@@H]1OC(=O)NCCCCCN
InChIInChI=1S/C21H41N3O3/c1-2-3-4-5-6-7-8-10-14-19(25)24-18-13-15-20(24)27-21(26)23-17-12-9-11-16-22/h20H,2-18,22H2,1H3,(H,23,26)/t20-/m0/s1
InChIKeyFTYSFTZOZJJDKK-FQEVSTJZSA-N
XLogP4.32
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 54.32
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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Related Compounds

[(2R)-1-hexanoylpyrrolidin-2-yl] N-(3-aminopropyl)carbamate
CID 69288161
N-(5-aminopentyl)-2-(1-tridecanoylpyrrolidin-2-yl)acetamide
CID 139965363
N-(5-aminopentyl)-2-[(2R)-1-tridecanoylpyrrolidin-2-yl]acetamide
CID 139965431
(2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide
CID 69288781
N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide
CID 23503497
N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide
CID 23503481
(2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide
CID 69288111
(2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine
CID 172840576
1-[2-(2-aminoethyl)pyrrolidin-1-yl]heptan-1-one
CID 90749675
tert-butyl N-[6-[(1-tridecanoylpiperidine-2-carbonyl)amino]hexyl]carbamate
CID 69287176
1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one
CID 63767295
1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953275

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-undecanoylpyrrolidin-2-yl] N-(5-aminopentyl)carbamate?
The IUPAC name of [(2S)-1-undecanoylpyrrolidin-2-yl] N-(5-aminopentyl)carbamate (CID 69288071) is [(2S)-1-undecanoylpyrrolidin-2-yl] N-(5-aminopentyl)carbamate.
What is the SMILES notation for [(2S)-1-undecanoylpyrrolidin-2-yl] N-(5-aminopentyl)carbamate?
The canonical SMILES for [(2S)-1-undecanoylpyrrolidin-2-yl] N-(5-aminopentyl)carbamate is CCCCCCCCCCC(=O)N1CCC[C@@H]1OC(=O)NCCCCCN.
What is the InChIKey of [(2S)-1-undecanoylpyrrolidin-2-yl] N-(5-aminopentyl)carbamate?
The InChIKey is FTYSFTZOZJJDKK-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H41N3O3/c1-2-3-4-5-6-7-8-10-14-19(25)24-18-13-15-20(24)27-21(26)23-17-12-9-11-16-22/h20H,2-18,22H2,1H3,(H,23,26)/t20-/m0/s1.
What are the key properties of [(2S)-1-undecanoylpyrrolidin-2-yl] N-(5-aminopentyl)carbamate?
[(2S)-1-undecanoylpyrrolidin-2-yl] N-(5-aminopentyl)carbamate has a molecular weight of 383.58 g/mol, XLogP of 4.32, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-undecanoylpyrrolidin-2-yl] N-(5-aminopentyl)carbamate is sourced from PubChem (CID 69288071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).