4-(1-carboxyethyl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid

C10H15NO6 — CID 164608551

IUPAC4-(1-carboxyethyl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
SMILESCC(C(=O)O)C1CNC(C(=O)O)C1CC(=O)O
InChIInChI=1S/C10H15NO6/c1-4(9(14)15)6-3-11-8(10(16)17)5(6)2-7(12)13/h4-6,8,11H,2-3H2,1H3,(H,12,13)(H,14,15)(H,16,17)
InChIKeyPBHAYBMWONBCQJ-UHFFFAOYSA-N
MW245.23 g/mol
LogP-0.53
Rot. Bonds5

About 4-(1-carboxyethyl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid

4-(1-carboxyethyl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid (PubChem CID 164608551) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is 4-(1-carboxyethyl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-carboxyethyl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
PubChem CID164608551
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name4-(1-carboxyethyl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
SMILESCC(C(=O)O)C1CNC(C(=O)O)C1CC(=O)O
InChIInChI=1S/C10H15NO6/c1-4(9(14)15)6-3-11-8(10(16)17)5(6)2-7(12)13/h4-6,8,11H,2-3H2,1H3,(H,12,13)(H,14,15)(H,16,17)
InChIKeyPBHAYBMWONBCQJ-UHFFFAOYSA-N
XLogP-0.53
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-(1-carboxyethyl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(carboxymethyl)-4-heptan-2-ylpyrrolidine-2-carboxylic acid
CID 67777938
(2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid;hydrate
CID 11954253
(2S,3S,4S)-4-[(2Z,4E)-6-carboxyhepta-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
CID 6426712
3-methylazetidine-2-carboxylic acid
CID 22326246
(2R,3S,4S)-3-(carboxymethyl)-4-(4-methylphenyl)sulfanylpyrrolidine-2-carboxylic acid
CID 23660500
(2S,3R,4R)-4-[(2Z,5E)-6-carboxyhepta-2,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
CID 177451742
3-ethyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 155895517
(2S,3S,4R)-3-(carboxymethyl)-4-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid
CID 14729241
(2S,3S,4R)-3-(carboxymethyl)-4-[1-(4-prop-1-en-2-ylphenyl)ethenyl]pyrrolidine-2-carboxylic acid
CID 10543350
(2R,3S,4S)-3-(carboxymethyl)-4-(4-methoxyphenyl)sulfanylpyrrolidine-2-carboxylic acid
CID 23660501
(2S,3S,4S)-3-(carboxymethyl)-4-[1-(4-ethylphenyl)ethenyl]pyrrolidine-2-carboxylic acid
CID 10685849
2-(2-methyl-5-propan-2-ylcyclopentyl)acetic acid
CID 121221263

Frequently Asked Questions

What is the IUPAC name of 4-(1-carboxyethyl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-(1-carboxyethyl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid (CID 164608551) is 4-(1-carboxyethyl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-(1-carboxyethyl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-(1-carboxyethyl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid is CC(C(=O)O)C1CNC(C(=O)O)C1CC(=O)O.
What is the InChIKey of 4-(1-carboxyethyl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is PBHAYBMWONBCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6/c1-4(9(14)15)6-3-11-8(10(16)17)5(6)2-7(12)13/h4-6,8,11H,2-3H2,1H3,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 4-(1-carboxyethyl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid?
4-(1-carboxyethyl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of -0.53, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-carboxyethyl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 164608551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).