(2R)-1-[2-[bis(carboxymethyl)amino]acetyl]-2-cyclohexylpyrrolidine-2-carboxylic acid

C17H26N2O7 — CID 54140544

IUPAC(2R)-1-[2-[bis(carboxymethyl)amino]acetyl]-2-cyclohexylpyrrolidine-2-carboxylic acid
SMILESO=C(O)CN(CC(=O)O)CC(=O)N1CCC[C@]1(C(=O)O)C1CCCCC1
InChIInChI=1S/C17H26N2O7/c20-13(9-18(10-14(21)22)11-15(23)24)19-8-4-7-17(19,16(25)26)12-5-2-1-3-6-12/h12H,1-11H2,(H,21,22)(H,23,24)(H,25,26)/t17-/m1/s1
InChIKeyOATXLQWHQALLRS-QGZVFWFLSA-N
MW370.40 g/mol
LogP0.48
Rot. Bonds8

About (2R)-1-[2-[bis(carboxymethyl)amino]acetyl]-2-cyclohexylpyrrolidine-2-carboxylic acid

(2R)-1-[2-[bis(carboxymethyl)amino]acetyl]-2-cyclohexylpyrrolidine-2-carboxylic acid (PubChem CID 54140544) has the molecular formula C17H26N2O7 and a molecular weight of 370.40 g/mol. Its IUPAC name is (2R)-1-[2-[bis(carboxymethyl)amino]acetyl]-2-cyclohexylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[bis(carboxymethyl)amino]acetyl]-2-cyclohexylpyrrolidine-2-carboxylic acid
PubChem CID54140544
Molecular FormulaC17H26N2O7
Molecular Weight370.40 g/mol
Exact Mass370.17
IUPAC Name(2R)-1-[2-[bis(carboxymethyl)amino]acetyl]-2-cyclohexylpyrrolidine-2-carboxylic acid
SMILESO=C(O)CN(CC(=O)O)CC(=O)N1CCC[C@]1(C(=O)O)C1CCCCC1
InChIInChI=1S/C17H26N2O7/c20-13(9-18(10-14(21)22)11-15(23)24)19-8-4-7-17(19,16(25)26)12-5-2-1-3-6-12/h12H,1-11H2,(H,21,22)(H,23,24)(H,25,26)/t17-/m1/s1
InChIKeyOATXLQWHQALLRS-QGZVFWFLSA-N
XLogP0.48
TPSA135.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-cyclohexyl-1-[2-[(2-cyclohexyloxy-2-oxoethyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 54136802
(2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid
CID 18337685
(2R)-2-cyclohexyl-1-[(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54027217
2-[[2-[4,7-bis[2-[bis(carboxymethyl)amino]acetyl]-1,4,7-triazonan-1-yl]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 10304966
2-azatricyclo[6.3.0.02,5]undecane-1-carboxylic acid
CID 70410520
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
methyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylate
CID 54546442
CID 160559897
CID 160559897
CID 23617736
CID 23617736
2-[bis(carboxymethyl)amino]acetic acid;cerium
CID 88686592
bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
CID 87731380
2-[ethyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 54900105

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[bis(carboxymethyl)amino]acetyl]-2-cyclohexylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[bis(carboxymethyl)amino]acetyl]-2-cyclohexylpyrrolidine-2-carboxylic acid (CID 54140544) is (2R)-1-[2-[bis(carboxymethyl)amino]acetyl]-2-cyclohexylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[bis(carboxymethyl)amino]acetyl]-2-cyclohexylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[bis(carboxymethyl)amino]acetyl]-2-cyclohexylpyrrolidine-2-carboxylic acid is O=C(O)CN(CC(=O)O)CC(=O)N1CCC[C@]1(C(=O)O)C1CCCCC1.
What is the InChIKey of (2R)-1-[2-[bis(carboxymethyl)amino]acetyl]-2-cyclohexylpyrrolidine-2-carboxylic acid?
The InChIKey is OATXLQWHQALLRS-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N2O7/c20-13(9-18(10-14(21)22)11-15(23)24)19-8-4-7-17(19,16(25)26)12-5-2-1-3-6-12/h12H,1-11H2,(H,21,22)(H,23,24)(H,25,26)/t17-/m1/s1.
What are the key properties of (2R)-1-[2-[bis(carboxymethyl)amino]acetyl]-2-cyclohexylpyrrolidine-2-carboxylic acid?
(2R)-1-[2-[bis(carboxymethyl)amino]acetyl]-2-cyclohexylpyrrolidine-2-carboxylic acid has a molecular weight of 370.40 g/mol, XLogP of 0.48, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[bis(carboxymethyl)amino]acetyl]-2-cyclohexylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54140544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).