(2S)-4-aminopyrrolidine-2-carboxylic acid

C5H10N2O2 — CID 21120376

IUPAC(2S)-4-aminopyrrolidine-2-carboxylic acid
SMILESNC1CN[C@H](C(=O)O)C1
InChIInChI=1S/C5H10N2O2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2,6H2,(H,8,9)/t3?,4-/m0/s1
InChIKeySHINASQYHDCLEU-BKLSDQPFSA-N
MW130.15 g/mol
LogP-1.24
Rot. Bonds1

About (2S)-4-aminopyrrolidine-2-carboxylic acid

(2S)-4-aminopyrrolidine-2-carboxylic acid (PubChem CID 21120376) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is (2S)-4-aminopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-aminopyrrolidine-2-carboxylic acid
PubChem CID21120376
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name(2S)-4-aminopyrrolidine-2-carboxylic acid
SMILESNC1CN[C@H](C(=O)O)C1
InChIInChI=1S/C5H10N2O2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2,6H2,(H,8,9)/t3?,4-/m0/s1
InChIKeySHINASQYHDCLEU-BKLSDQPFSA-N
XLogP-1.24
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 ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-aminopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-aminopyrrolidine-2-carboxylic acid (CID 21120376) is (2S)-4-aminopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-aminopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-aminopyrrolidine-2-carboxylic acid is NC1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S)-4-aminopyrrolidine-2-carboxylic acid?
The InChIKey is SHINASQYHDCLEU-BKLSDQPFSA-N. The full InChI is InChI=1S/C5H10N2O2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2,6H2,(H,8,9)/t3?,4-/m0/s1.
What are the key properties of (2S)-4-aminopyrrolidine-2-carboxylic acid?
(2S)-4-aminopyrrolidine-2-carboxylic acid has a molecular weight of 130.15 g/mol, XLogP of -1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-aminopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 21120376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).