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

C10H16N2O3 — CID 83380917

IUPAC2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid
SMILESCN(C)C(CNCC(=O)O)c1ccco1
InChIInChI=1S/C10H16N2O3/c1-12(2)8(6-11-7-10(13)14)9-4-3-5-15-9/h3-5,8,11H,6-7H2,1-2H3,(H,13,14)
InChIKeyWPXLNZAHKNVCKN-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.56
Rot. Bonds6

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

2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid (PubChem CID 83380917) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid
PubChem CID83380917
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid
SMILESCN(C)C(CNCC(=O)O)c1ccco1
InChIInChI=1S/C10H16N2O3/c1-12(2)8(6-11-7-10(13)14)9-4-3-5-15-9/h3-5,8,11H,6-7H2,1-2H3,(H,13,14)
InChIKeyWPXLNZAHKNVCKN-UHFFFAOYSA-N
XLogP0.56
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 60933195
5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid
CID 63316815
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid
CID 64895752
2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 60662226
N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 61323901
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide
CID 43232712
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 52985245
N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-(2-phenylethyl)oxamide
CID 16875604
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid?
The IUPAC name of 2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid (CID 83380917) is 2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid is CN(C)C(CNCC(=O)O)c1ccco1.
What is the InChIKey of 2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid?
The InChIKey is WPXLNZAHKNVCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-12(2)8(6-11-7-10(13)14)9-4-3-5-15-9/h3-5,8,11H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid?
2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid has a molecular weight of 212.25 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 83380917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).