4-aminopyrrolidine-3-carboxylic acid

C5H10N2O2 — CID 23446083

IUPAC4-aminopyrrolidine-3-carboxylic acid
SMILESNC1CNCC1C(=O)O
InChIInChI=1S/C5H10N2O2/c6-4-2-7-1-3(4)5(8)9/h3-4,7H,1-2,6H2,(H,8,9)
InChIKeyRMNHPXDNGOBDOT-UHFFFAOYSA-N
MW130.15 g/mol
LogP-1.38
Rot. Bonds1

About 4-aminopyrrolidine-3-carboxylic acid

4-aminopyrrolidine-3-carboxylic acid (PubChem CID 23446083) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 4-aminopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-aminopyrrolidine-3-carboxylic acid
PubChem CID23446083
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name4-aminopyrrolidine-3-carboxylic acid
SMILESNC1CNCC1C(=O)O
InChIInChI=1S/C5H10N2O2/c6-4-2-7-1-3(4)5(8)9/h3-4,7H,1-2,6H2,(H,8,9)
InChIKeyRMNHPXDNGOBDOT-UHFFFAOYSA-N
XLogP-1.38
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-aminopyrrolidine-3-carboxylic acid?
The IUPAC name of 4-aminopyrrolidine-3-carboxylic acid (CID 23446083) is 4-aminopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-aminopyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-aminopyrrolidine-3-carboxylic acid is NC1CNCC1C(=O)O.
What is the InChIKey of 4-aminopyrrolidine-3-carboxylic acid?
The InChIKey is RMNHPXDNGOBDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c6-4-2-7-1-3(4)5(8)9/h3-4,7H,1-2,6H2,(H,8,9).
What are the key properties of 4-aminopyrrolidine-3-carboxylic acid?
4-aminopyrrolidine-3-carboxylic acid has a molecular weight of 130.15 g/mol, XLogP of -1.38, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 23446083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).