(3S)-3-aminopyrrolidine-3-carboxylic acid

C5H10N2O2 — CID 11029875

IUPAC(3S)-3-aminopyrrolidine-3-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCNC1
InChIInChI=1S/C5H10N2O2/c6-5(4(8)9)1-2-7-3-5/h7H,1-3,6H2,(H,8,9)/t5-/m0/s1
InChIKeyDWAKXSZUASEUHH-YFKPBYRVSA-N
MW130.15 g/mol
LogP-1.24
Rot. Bonds1

About (3S)-3-aminopyrrolidine-3-carboxylic acid

(3S)-3-aminopyrrolidine-3-carboxylic acid (PubChem CID 11029875) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is (3S)-3-aminopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-aminopyrrolidine-3-carboxylic acid
PubChem CID11029875
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name(3S)-3-aminopyrrolidine-3-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCNC1
InChIInChI=1S/C5H10N2O2/c6-5(4(8)9)1-2-7-3-5/h7H,1-3,6H2,(H,8,9)/t5-/m0/s1
InChIKeyDWAKXSZUASEUHH-YFKPBYRVSA-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

Cucurbitine
CID 442634
(3S,4R)-4-Amino-3-pyrrolidinecarboxylic acid
CID 11424236
3-Aminopyrrolidine-3-carboxylic acid dihydrochloride
CID 11694114
3-Aminopyrrolidine-3-carboxylic acid
CID 415763
4-Aminopyrrolidine-3-carboxylic acid
CID 23446083
(3S,4R)-4-aminopyrrolidine-3-carboxylic acid dihydrochloride
CID 11424235
3-Amino-1-methylpyrrolidine-3-carboxylic acid;dihydrochloride
CID 177798920
(3R,4R)-4-Aminopyrrolidine-3-carboxylic acid
CID 11355492
trans-3-Aminopyrrolidine-4-carboxylic acid
CID 12996604
3-Amino-1-methylpyrrolidine-3-carboxylic acid
CID 62976583
1-Methyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid
CID 62976227
3-Amino-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
CID 107324242

Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminopyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-3-aminopyrrolidine-3-carboxylic acid (CID 11029875) is (3S)-3-aminopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-3-aminopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-3-aminopyrrolidine-3-carboxylic acid is N[C@@]1(C(=O)O)CCNC1.
What is the InChIKey of (3S)-3-aminopyrrolidine-3-carboxylic acid?
The InChIKey is DWAKXSZUASEUHH-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H10N2O2/c6-5(4(8)9)1-2-7-3-5/h7H,1-3,6H2,(H,8,9)/t5-/m0/s1.
What are the key properties of (3S)-3-aminopyrrolidine-3-carboxylic acid?
(3S)-3-aminopyrrolidine-3-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 (3S)-3-aminopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 11029875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).