2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic acid

C11H17NO6 — CID 61328078

IUPAC2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic acid
SMILESCCOC(=O)CN(C(=O)COCC(=O)O)C1CC1
InChIInChI=1S/C11H17NO6/c1-2-18-11(16)5-12(8-3-4-8)9(13)6-17-7-10(14)15/h8H,2-7H2,1H3,(H,14,15)
InChIKeyNRBSZNNEEABLFC-UHFFFAOYSA-N
MW259.26 g/mol
LogP-0.36
Rot. Bonds8

About 2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic acid

2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 61328078) has the molecular formula C11H17NO6 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic acid
PubChem CID61328078
Molecular FormulaC11H17NO6
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic acid
SMILESCCOC(=O)CN(C(=O)COCC(=O)O)C1CC1
InChIInChI=1S/C11H17NO6/c1-2-18-11(16)5-12(8-3-4-8)9(13)6-17-7-10(14)15/h8H,2-7H2,1H3,(H,14,15)
InChIKeyNRBSZNNEEABLFC-UHFFFAOYSA-N
XLogP-0.36
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic 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

ethyl 2-[cyclopropyl-(2-methoxyacetyl)amino]acetate
CID 61410290
2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid
CID 115538733
ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
CID 55150352
ethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate
CID 60949097
ethyl 2-[(2-aminoacetyl)-cyclobutylamino]acetate
CID 69042060
2-(2-ethoxy-2-oxoethoxy)acetic acid
CID 11305696
2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid
CID 61327891
ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate
CID 61410360
ethyl 2-[cyclopropyl(5-hydroxypentanoyl)amino]acetate
CID 79199605
ethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate
CID 65465117
ethyl 2-[[(2S)-2-aminopropanoyl]-cyclopropylamino]acetate
CID 61148316
ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate
CID 55150350

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic acid (CID 61328078) is 2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic acid is CCOC(=O)CN(C(=O)COCC(=O)O)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is NRBSZNNEEABLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO6/c1-2-18-11(16)5-12(8-3-4-8)9(13)6-17-7-10(14)15/h8H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 259.26 g/mol, XLogP of -0.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61328078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).