2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid

C13H22N2O6 — CID 79270281

IUPAC2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCCOC(=O)C1CCCN1C(=O)N(CCOC)CC(=O)O
InChIInChI=1S/C13H22N2O6/c1-3-21-12(18)10-5-4-6-15(10)13(19)14(7-8-20-2)9-11(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyAWMSZUKPEWRXSN-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.17
Rot. Bonds7

About 2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid

2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 79270281) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID79270281
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCCOC(=O)C1CCCN1C(=O)N(CCOC)CC(=O)O
InChIInChI=1S/C13H22N2O6/c1-3-21-12(18)10-5-4-6-15(10)13(19)14(7-8-20-2)9-11(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyAWMSZUKPEWRXSN-UHFFFAOYSA-N
XLogP0.17
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-prop-2-ynylamino]acetic acid
CID 79284149
2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 55096838
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)-prop-2-enylamino]acetic acid
CID 79277475
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 79272643
2-[(3-methoxycarbonylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 115535207
ethyl 1-(3-methylpentanoyl)pyrrolidine-2-carboxylate
CID 114875756
ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705
ethyl 1-(3-ethoxypropanoyl)pyrrolidine-2-carboxylate
CID 62591032
2-[2-methoxyethyl-(3-methylmorpholine-4-carbonyl)amino]acetic acid
CID 79271907
2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid
CID 63645478
1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 22398183

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid (CID 79270281) is 2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid is CCOC(=O)C1CCCN1C(=O)N(CCOC)CC(=O)O.
What is the InChIKey of 2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is AWMSZUKPEWRXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-3-21-12(18)10-5-4-6-15(10)13(19)14(7-8-20-2)9-11(16)17/h10H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid?
2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 302.33 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79270281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).