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

C5H10N2O2 — CID 13419852

IUPAC(2S,4R)-4-aminopyrrolidine-2-carboxylic acid
SMILESN[C@H]1CN[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+/m1/s1
InChIKeySHINASQYHDCLEU-DMTCNVIQSA-N
MW130.15 g/mol
LogP-1.24
Rot. Bonds1

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

(2S,4R)-4-aminopyrrolidine-2-carboxylic acid (PubChem CID 13419852) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is (2S,4R)-4-aminopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-aminopyrrolidine-2-carboxylic acid
PubChem CID13419852
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name(2S,4R)-4-aminopyrrolidine-2-carboxylic acid
SMILESN[C@H]1CN[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+/m1/s1
InChIKeySHINASQYHDCLEU-DMTCNVIQSA-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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Related Compounds

L-Proline
CID 145742
proline dl-form
CID 614
D-Proline
CID 8988
5-oxo-L-prolyl-L-glutamine
CID 11010621
(2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid
CID 5310984
(4R)-4-Fluoro-L-proline
CID 11902999
L-Proline, 4-fluoro-, cis-
CID 10057550
(2S)-1-[(2S)-2-[(3-amino-1-carboxypropyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 44316829
(2S,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid
CID 6604828
(2R,4S)-4-Aminopyrrolidine-2,4-dicarboxylic acid
CID 9815360
3-Aminopyrrolidine-2-carboxylic acid
CID 21998160
L-prolinium
CID 5460775

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-aminopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-aminopyrrolidine-2-carboxylic acid (CID 13419852) is (2S,4R)-4-aminopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-aminopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-aminopyrrolidine-2-carboxylic acid is N[C@H]1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4R)-4-aminopyrrolidine-2-carboxylic acid?
The InChIKey is SHINASQYHDCLEU-DMTCNVIQSA-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+/m1/s1.
What are the key properties of (2S,4R)-4-aminopyrrolidine-2-carboxylic acid?
(2S,4R)-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,4R)-4-aminopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 13419852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).