[(2R)-1-hexanoylpyrrolidin-2-yl] N-(3-aminopropyl)carbamate

C14H27N3O3 — CID 69288161

IUPAC[(2R)-1-hexanoylpyrrolidin-2-yl] N-(3-aminopropyl)carbamate
SMILESCCCCCC(=O)N1CCC[C@H]1OC(=O)NCCCN
InChIInChI=1S/C14H27N3O3/c1-2-3-4-7-12(18)17-11-5-8-13(17)20-14(19)16-10-6-9-15/h13H,2-11,15H2,1H3,(H,16,19)/t13-/m1/s1
InChIKeyUGNYWANXSMTTGR-CYBMUJFWSA-N
MW285.39 g/mol
LogP1.59
Rot. Bonds8

About [(2R)-1-hexanoylpyrrolidin-2-yl] N-(3-aminopropyl)carbamate

[(2R)-1-hexanoylpyrrolidin-2-yl] N-(3-aminopropyl)carbamate (PubChem CID 69288161) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is [(2R)-1-hexanoylpyrrolidin-2-yl] N-(3-aminopropyl)carbamate.

Molecular Properties

Compound Name[(2R)-1-hexanoylpyrrolidin-2-yl] N-(3-aminopropyl)carbamate
PubChem CID69288161
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name[(2R)-1-hexanoylpyrrolidin-2-yl] N-(3-aminopropyl)carbamate
SMILESCCCCCC(=O)N1CCC[C@H]1OC(=O)NCCCN
InChIInChI=1S/C14H27N3O3/c1-2-3-4-7-12(18)17-11-5-8-13(17)20-14(19)16-10-6-9-15/h13H,2-11,15H2,1H3,(H,16,19)/t13-/m1/s1
InChIKeyUGNYWANXSMTTGR-CYBMUJFWSA-N
XLogP1.59
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.59
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

[(2S)-1-undecanoylpyrrolidin-2-yl] N-(5-aminopentyl)carbamate
CID 69288071
N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide
CID 23503481
(2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide
CID 69288111
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
(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
1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one
CID 63767295
CID 160598111
CID 160598111
1-(2-methylpiperidin-1-yl)dodecan-1-one
CID 3275984

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hexanoylpyrrolidin-2-yl] N-(3-aminopropyl)carbamate?
The IUPAC name of [(2R)-1-hexanoylpyrrolidin-2-yl] N-(3-aminopropyl)carbamate (CID 69288161) is [(2R)-1-hexanoylpyrrolidin-2-yl] N-(3-aminopropyl)carbamate.
What is the SMILES notation for [(2R)-1-hexanoylpyrrolidin-2-yl] N-(3-aminopropyl)carbamate?
The canonical SMILES for [(2R)-1-hexanoylpyrrolidin-2-yl] N-(3-aminopropyl)carbamate is CCCCCC(=O)N1CCC[C@H]1OC(=O)NCCCN.
What is the InChIKey of [(2R)-1-hexanoylpyrrolidin-2-yl] N-(3-aminopropyl)carbamate?
The InChIKey is UGNYWANXSMTTGR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-2-3-4-7-12(18)17-11-5-8-13(17)20-14(19)16-10-6-9-15/h13H,2-11,15H2,1H3,(H,16,19)/t13-/m1/s1.
What are the key properties of [(2R)-1-hexanoylpyrrolidin-2-yl] N-(3-aminopropyl)carbamate?
[(2R)-1-hexanoylpyrrolidin-2-yl] N-(3-aminopropyl)carbamate has a molecular weight of 285.39 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hexanoylpyrrolidin-2-yl] N-(3-aminopropyl)carbamate is sourced from PubChem (CID 69288161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).