(3S,4R)-4-aminopyrrolidine-3-carboxylic acid

C5H10N2O2 — CID 11424236

IUPAC(3S,4R)-4-aminopyrrolidine-3-carboxylic acid
SMILESN[C@H]1CNC[C@@H]1C(=O)O
InChIInChI=1S/C5H10N2O2/c6-4-2-7-1-3(4)5(8)9/h3-4,7H,1-2,6H2,(H,8,9)/t3-,4-/m0/s1
InChIKeyRMNHPXDNGOBDOT-IMJSIDKUSA-N
MW130.15 g/mol
LogP-1.38
Rot. Bonds1

About (3S,4R)-4-aminopyrrolidine-3-carboxylic acid

(3S,4R)-4-aminopyrrolidine-3-carboxylic acid (PubChem CID 11424236) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is (3S,4R)-4-aminopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-4-aminopyrrolidine-3-carboxylic acid
PubChem CID11424236
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name(3S,4R)-4-aminopyrrolidine-3-carboxylic acid
SMILESN[C@H]1CNC[C@@H]1C(=O)O
InChIInChI=1S/C5H10N2O2/c6-4-2-7-1-3(4)5(8)9/h3-4,7H,1-2,6H2,(H,8,9)/t3-,4-/m0/s1
InChIKeyRMNHPXDNGOBDOT-IMJSIDKUSA-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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Related Compounds

3-Pyrrolidinecarboxylic acid
CID 3034645
Cucurbitine
CID 442634
(3R)-3-Pyrrolidinecarboxylic acid
CID 1501970
rac-(3R,4R)-4-methylpyrrolidine-3-carboxylic acid
CID 1512685
3-Aminopyrrolidine-3-carboxylic acid dihydrochloride
CID 11694114
(3R)-pyrrolidine-3-carboxylic acid hydrochloride
CID 43810916
Pyrrolidine-3-carboxylic acid hydrochloride
CID 44890816
3-Aminopyrrolidine-3-carboxylic acid
CID 415763
4-Aminopyrrolidine-3-carboxylic acid
CID 23446083
(3S)-3-aminopyrrolidine-3-carboxylic acid
CID 11029875
CID 28405994
CID 28405994
(3S,4R)-4-aminopyrrolidine-3-carboxylic acid dihydrochloride
CID 11424235

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-aminopyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4R)-4-aminopyrrolidine-3-carboxylic acid (CID 11424236) is (3S,4R)-4-aminopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-4-aminopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4R)-4-aminopyrrolidine-3-carboxylic acid is N[C@H]1CNC[C@@H]1C(=O)O.
What is the InChIKey of (3S,4R)-4-aminopyrrolidine-3-carboxylic acid?
The InChIKey is RMNHPXDNGOBDOT-IMJSIDKUSA-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)/t3-,4-/m0/s1.
What are the key properties of (3S,4R)-4-aminopyrrolidine-3-carboxylic acid?
(3S,4R)-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 (3S,4R)-4-aminopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 11424236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).