2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid

C12H18N2O5 — CID 60662226

IUPAC2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
SMILESCN(C)C(CNC(=O)COCC(=O)O)c1ccco1
InChIInChI=1S/C12H18N2O5/c1-14(2)9(10-4-3-5-19-10)6-13-11(15)7-18-8-12(16)17/h3-5,9H,6-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyRZXZDFOGEJWKIW-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.10
Rot. Bonds8

About 2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid

2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid (PubChem CID 60662226) has the molecular formula C12H18N2O5 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
PubChem CID60662226
Molecular FormulaC12H18N2O5
Molecular Weight270.29 g/mol
Exact Mass270.12
IUPAC Name2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
SMILESCN(C)C(CNC(=O)COCC(=O)O)c1ccco1
InChIInChI=1S/C12H18N2O5/c1-14(2)9(10-4-3-5-19-10)6-13-11(15)7-18-8-12(16)17/h3-5,9H,6-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyRZXZDFOGEJWKIW-UHFFFAOYSA-N
XLogP0.10
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide
CID 95236001
6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 60933195
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 26819035
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 19114396
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 26819079
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 52985245
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 19114412
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethylphenoxy)acetamide
CID 26819096
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26819049
2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 81408914
2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid
CID 83380917
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid (CID 60662226) is 2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid is CN(C)C(CNC(=O)COCC(=O)O)c1ccco1.
What is the InChIKey of 2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is RZXZDFOGEJWKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-14(2)9(10-4-3-5-19-10)6-13-11(15)7-18-8-12(16)17/h3-5,9H,6-8H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid?
2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 270.29 g/mol, XLogP of 0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 60662226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).