(2S)-1-[2-[carboxymethyl(propyl)amino]acetyl]pyrrolidine-2-carboxylic acid

C12H20N2O5 — CID 70464697

IUPAC(2S)-1-[2-[carboxymethyl(propyl)amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESCCCN(CC(=O)O)CC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O5/c1-2-5-13(8-11(16)17)7-10(15)14-6-3-4-9(14)12(18)19/h9H,2-8H2,1H3,(H,16,17)(H,18,19)/t9-/m0/s1
InChIKeySIKBICYTJVGBMG-VIFPVBQESA-N
MW272.30 g/mol
LogP-0.14
Rot. Bonds7

About (2S)-1-[2-[carboxymethyl(propyl)amino]acetyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-[carboxymethyl(propyl)amino]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 70464697) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-1-[2-[carboxymethyl(propyl)amino]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-[carboxymethyl(propyl)amino]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID70464697
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2S)-1-[2-[carboxymethyl(propyl)amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESCCCN(CC(=O)O)CC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O5/c1-2-5-13(8-11(16)17)7-10(15)14-6-3-4-9(14)12(18)19/h9H,2-8H2,1H3,(H,16,17)(H,18,19)/t9-/m0/s1
InChIKeySIKBICYTJVGBMG-VIFPVBQESA-N
XLogP-0.14
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]acetic acid
CID 61008209
1-[2-(dimethylamino)acetyl]piperidine-2-carboxylic acid
CID 79018258
1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119355518
(2R)-1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119370547
(2R)-1-[2-[butyl-[2-oxo-2-[(2R)-2-(2,2,2-trifluoroacetyl)oxycarbonylpyrrolidin-1-yl]ethyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 142632566
2-(dipropylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 86910557
2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid
CID 61006933
2-(dipropylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 86910548
(2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195285
(2S)-1-[2-(butanoylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 119365379
1-(2-propylsulfonylacetyl)pyrrolidine-2-carboxylic acid
CID 119355643
1-[2-[methyl(methylsulfonyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119356149

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[carboxymethyl(propyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-[carboxymethyl(propyl)amino]acetyl]pyrrolidine-2-carboxylic acid (CID 70464697) is (2S)-1-[2-[carboxymethyl(propyl)amino]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-[carboxymethyl(propyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-[carboxymethyl(propyl)amino]acetyl]pyrrolidine-2-carboxylic acid is CCCN(CC(=O)O)CC(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[2-[carboxymethyl(propyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SIKBICYTJVGBMG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N2O5/c1-2-5-13(8-11(16)17)7-10(15)14-6-3-4-9(14)12(18)19/h9H,2-8H2,1H3,(H,16,17)(H,18,19)/t9-/m0/s1.
What are the key properties of (2S)-1-[2-[carboxymethyl(propyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-[carboxymethyl(propyl)amino]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[carboxymethyl(propyl)amino]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70464697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).