3-[(3-aminopyrrolidine-1-carbonyl)amino]propanoic acid

C8H15N3O3 — CID 62067907

IUPAC3-[(3-aminopyrrolidine-1-carbonyl)amino]propanoic acid
SMILESNC1CCN(C(=O)NCCC(=O)O)C1
InChIInChI=1S/C8H15N3O3/c9-6-2-4-11(5-6)8(14)10-3-1-7(12)13/h6H,1-5,9H2,(H,10,14)(H,12,13)
InChIKeyDBKXRRLFGJKOIE-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.80
Rot. Bonds3

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

3-[(3-aminopyrrolidine-1-carbonyl)amino]propanoic acid (PubChem CID 62067907) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-[(3-aminopyrrolidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(3-aminopyrrolidine-1-carbonyl)amino]propanoic acid
PubChem CID62067907
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name3-[(3-aminopyrrolidine-1-carbonyl)amino]propanoic acid
SMILESNC1CCN(C(=O)NCCC(=O)O)C1
InChIInChI=1S/C8H15N3O3/c9-6-2-4-11(5-6)8(14)10-3-1-7(12)13/h6H,1-5,9H2,(H,10,14)(H,12,13)
InChIKeyDBKXRRLFGJKOIE-UHFFFAOYSA-N
XLogP-0.80
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminopyrrolidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(3-aminopyrrolidine-1-carbonyl)amino]propanoic acid (CID 62067907) is 3-[(3-aminopyrrolidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(3-aminopyrrolidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(3-aminopyrrolidine-1-carbonyl)amino]propanoic acid is NC1CCN(C(=O)NCCC(=O)O)C1.
What is the InChIKey of 3-[(3-aminopyrrolidine-1-carbonyl)amino]propanoic acid?
The InChIKey is DBKXRRLFGJKOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c9-6-2-4-11(5-6)8(14)10-3-1-7(12)13/h6H,1-5,9H2,(H,10,14)(H,12,13).
What are the key properties of 3-[(3-aminopyrrolidine-1-carbonyl)amino]propanoic acid?
3-[(3-aminopyrrolidine-1-carbonyl)amino]propanoic acid has a molecular weight of 201.23 g/mol, XLogP of -0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminopyrrolidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 62067907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).