2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid

C10H17N3O5 — CID 55029823

IUPAC2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid
SMILESNC1CCN(C(=O)NC(CCC(=O)O)C(=O)O)C1
InChIInChI=1S/C10H17N3O5/c11-6-3-4-13(5-6)10(18)12-7(9(16)17)1-2-8(14)15/h6-7H,1-5,11H2,(H,12,18)(H,14,15)(H,16,17)
InChIKeyUVYCNEQTMMJAMU-UHFFFAOYSA-N
MW259.26 g/mol
LogP-0.95
Rot. Bonds5

About 2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid

2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid (PubChem CID 55029823) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid.

Molecular Properties

Compound Name2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid
PubChem CID55029823
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid
SMILESNC1CCN(C(=O)NC(CCC(=O)O)C(=O)O)C1
InChIInChI=1S/C10H17N3O5/c11-6-3-4-13(5-6)10(18)12-7(9(16)17)1-2-8(14)15/h6-7H,1-5,11H2,(H,12,18)(H,14,15)(H,16,17)
InChIKeyUVYCNEQTMMJAMU-UHFFFAOYSA-N
XLogP-0.95
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566773
(2S)-5-amino-2-[(4-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61403013
(2R)-5-amino-2-[(3-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107830632
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanedioic acid
CID 103942887
(2S)-5-amino-2-[(3-ethylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 113418287
(2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid
CID 63979418
3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid
CID 62067755
(2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid
CID 107145596
(2R)-2-[(3-propylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567557
3-hydroxy-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 112626765
(2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 61196853
2-[(3,4-dimethylpiperazine-1-carbonyl)amino]pentanedioic acid
CID 63605099

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid?
The IUPAC name of 2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid (CID 55029823) is 2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid.
What is the SMILES notation for 2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid?
The canonical SMILES for 2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid is NC1CCN(C(=O)NC(CCC(=O)O)C(=O)O)C1.
What is the InChIKey of 2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid?
The InChIKey is UVYCNEQTMMJAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c11-6-3-4-13(5-6)10(18)12-7(9(16)17)1-2-8(14)15/h6-7H,1-5,11H2,(H,12,18)(H,14,15)(H,16,17).
What are the key properties of 2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid?
2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid has a molecular weight of 259.26 g/mol, XLogP of -0.95, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid is sourced from PubChem (CID 55029823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).