2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid

C9H17N3O3 — CID 77233359

IUPAC2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
SMILESNC(CNC(=O)CC1CCCN1)C(=O)O
InChIInChI=1S/C9H17N3O3/c10-7(9(14)15)5-12-8(13)4-6-2-1-3-11-6/h6-7,11H,1-5,10H2,(H,12,13)(H,14,15)
InChIKeyVSCOWAHQFWWZCH-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.34
Rot. Bonds5

About 2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid

2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid (PubChem CID 77233359) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
PubChem CID77233359
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
SMILESNC(CNC(=O)CC1CCCN1)C(=O)O
InChIInChI=1S/C9H17N3O3/c10-7(9(14)15)5-12-8(13)4-6-2-1-3-11-6/h6-7,11H,1-5,10H2,(H,12,13)(H,14,15)
InChIKeyVSCOWAHQFWWZCH-UHFFFAOYSA-N
XLogP-1.34
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic 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

(2S)-2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 67154447
2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 62669553
2-amino-3-pyrrolidin-2-ylpropanoic acid
CID 67340597
3-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanoic acid
CID 81073110
2-amino-3-[(2-piperidin-4-ylacetyl)amino]propanoic acid
CID 67154253
N-[2-(2-methylpropylamino)-2-oxoethyl]-2-pyrrolidin-2-ylacetamide
CID 112701818
N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide
CID 61365271
N-(2,3-dimethylbutyl)-2-piperidin-2-ylacetamide
CID 64599334
2-pyrrolidin-2-yl-N-(2-sulfamoylethyl)acetamide
CID 61371209
N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide
CID 61366460
N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119752490
N-(cyclopentylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61370022

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid?
The IUPAC name of 2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid (CID 77233359) is 2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid?
The canonical SMILES for 2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid is NC(CNC(=O)CC1CCCN1)C(=O)O.
What is the InChIKey of 2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid?
The InChIKey is VSCOWAHQFWWZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c10-7(9(14)15)5-12-8(13)4-6-2-1-3-11-6/h6-7,11H,1-5,10H2,(H,12,13)(H,14,15).
What are the key properties of 2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid?
2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid has a molecular weight of 215.25 g/mol, XLogP of -1.34, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 77233359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).