2-[2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid

C13H23N3O5 — CID 63536842

IUPAC2-[2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid
SMILESCCN(CC)C1CCN(C(=O)NC(=O)COCC(=O)O)C1
InChIInChI=1S/C13H23N3O5/c1-3-15(4-2)10-5-6-16(7-10)13(20)14-11(17)8-21-9-12(18)19/h10H,3-9H2,1-2H3,(H,18,19)(H,14,17,20)
InChIKeyGQQVWXFFUQIZOG-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.26
Rot. Bonds7

About 2-[2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid

2-[2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid (PubChem CID 63536842) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid
PubChem CID63536842
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name2-[2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid
SMILESCCN(CC)C1CCN(C(=O)NC(=O)COCC(=O)O)C1
InChIInChI=1S/C13H23N3O5/c1-3-15(4-2)10-5-6-16(7-10)13(20)14-11(17)8-21-9-12(18)19/h10H,3-9H2,1-2H3,(H,18,19)(H,14,17,20)
InChIKeyGQQVWXFFUQIZOG-UHFFFAOYSA-N
XLogP-0.26
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid (CID 63536842) is 2-[2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid is CCN(CC)C1CCN(C(=O)NC(=O)COCC(=O)O)C1.
What is the InChIKey of 2-[2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is GQQVWXFFUQIZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-3-15(4-2)10-5-6-16(7-10)13(20)14-11(17)8-21-9-12(18)19/h10H,3-9H2,1-2H3,(H,18,19)(H,14,17,20).
What are the key properties of 2-[2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid?
2-[2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 301.34 g/mol, XLogP of -0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 63536842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).