3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid

C10H17N3O2 — CID 107324753

IUPAC3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid
SMILESN#CCCCCN1CCC(N)(C(=O)O)C1
InChIInChI=1S/C10H17N3O2/c11-5-2-1-3-6-13-7-4-10(12,8-13)9(14)15/h1-4,6-8,12H2,(H,14,15)
InChIKeyAARJLFRCKIZFRA-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.17
Rot. Bonds5

About 3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid

3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid (PubChem CID 107324753) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid
PubChem CID107324753
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid
SMILESN#CCCCCN1CCC(N)(C(=O)O)C1
InChIInChI=1S/C10H17N3O2/c11-5-2-1-3-6-13-7-4-10(12,8-13)9(14)15/h1-4,6-8,12H2,(H,14,15)
InChIKeyAARJLFRCKIZFRA-UHFFFAOYSA-N
XLogP0.17
TPSA90.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.17
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

3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid
CID 107324864
3-amino-1-octylpyrrolidine-3-carboxylic acid
CID 107321089
3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid
CID 107324867
3-amino-1-(3-ethylsulfanylpropyl)pyrrolidine-3-carboxylic acid
CID 107320794
3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 107324696
3-amino-1-(4-phenylbutyl)pyrrolidine-3-carboxylic acid
CID 107325026
3-amino-1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylic acid
CID 107324778
3-amino-1-butylpiperidine-3-carboxylic acid
CID 117011811
3-amino-1-[2-(4-cyanophenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 107324709
5-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentanenitrile
CID 86778545
3-amino-1-(3,3-diethoxypropyl)pyrrolidine-3-carboxylic acid
CID 107324313
4-amino-1-pentylpiperidine-4-carboxylic acid
CID 117011769

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid (CID 107324753) is 3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid is N#CCCCCN1CCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid?
The InChIKey is AARJLFRCKIZFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c11-5-2-1-3-6-13-7-4-10(12,8-13)9(14)15/h1-4,6-8,12H2,(H,14,15).
What are the key properties of 3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).