1-[3-(3-aminopropylamino)propyl]-5-oxopyrrolidine-3-carboxamide

C11H22N4O2 — CID 168697217

IUPAC1-[3-(3-aminopropylamino)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESNCCCNCCCN1CC(C(N)=O)CC1=O
InChIInChI=1S/C11H22N4O2/c12-3-1-4-14-5-2-6-15-8-9(11(13)17)7-10(15)16/h9,14H,1-8,12H2,(H2,13,17)
InChIKeyNGHANPYZKPTVRH-UHFFFAOYSA-N
MW242.32 g/mol
LogP-1.35
Rot. Bonds8

About 1-[3-(3-aminopropylamino)propyl]-5-oxopyrrolidine-3-carboxamide

1-[3-(3-aminopropylamino)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168697217) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[3-(3-aminopropylamino)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(3-aminopropylamino)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168697217
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name1-[3-(3-aminopropylamino)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESNCCCNCCCN1CC(C(N)=O)CC1=O
InChIInChI=1S/C11H22N4O2/c12-3-1-4-14-5-2-6-15-8-9(11(13)17)7-10(15)16/h9,14H,1-8,12H2,(H2,13,17)
InChIKeyNGHANPYZKPTVRH-UHFFFAOYSA-N
XLogP-1.35
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 92755218
7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168697198
5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide
CID 168697255
methyl 1-(6-aminohexyl)-5-oxopyrrolidine-3-carboxylate
CID 168694101
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 71757801
(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
(2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid
CID 168695887
N-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 119408328
1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168696347
1-methyl-5-oxopyrrolidine-3-carboxamide
CID 541476

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminopropylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[3-(3-aminopropylamino)propyl]-5-oxopyrrolidine-3-carboxamide (CID 168697217) is 1-[3-(3-aminopropylamino)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[3-(3-aminopropylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[3-(3-aminopropylamino)propyl]-5-oxopyrrolidine-3-carboxamide is NCCCNCCCN1CC(C(N)=O)CC1=O.
What is the InChIKey of 1-[3-(3-aminopropylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NGHANPYZKPTVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c12-3-1-4-14-5-2-6-15-8-9(11(13)17)7-10(15)16/h9,14H,1-8,12H2,(H2,13,17).
What are the key properties of 1-[3-(3-aminopropylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
1-[3-(3-aminopropylamino)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminopropylamino)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168697217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).