2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid

C12H18N2O4 — CID 43354372

IUPAC2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid
SMILESCCN(CC)Cc1ccc(C(=O)NCC(=O)O)o1
InChIInChI=1S/C12H18N2O4/c1-3-14(4-2)8-9-5-6-10(18-9)12(17)13-7-11(15)16/h5-6H,3-4,7-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyQROJYJNNIMZOPD-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.94
Rot. Bonds7

About 2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid

2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid (PubChem CID 43354372) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid
PubChem CID43354372
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid
SMILESCCN(CC)Cc1ccc(C(=O)NCC(=O)O)o1
InChIInChI=1S/C12H18N2O4/c1-3-14(4-2)8-9-5-6-10(18-9)12(17)13-7-11(15)16/h5-6H,3-4,7-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyQROJYJNNIMZOPD-UHFFFAOYSA-N
XLogP0.94
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide
CID 106843281
5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide
CID 56807423
2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 43170259
5-(diethylaminomethyl)-N-[1-(hydroxymethyl)cyclopentyl]furan-2-carboxamide
CID 62517028
N-(2-amino-2-oxoethoxy)-5-(diethylaminomethyl)furan-2-carboxamide
CID 112550624
2-[[5-(diethylaminomethyl)furan-2-carbonyl]-propylamino]acetic acid
CID 61013161
2-[[5-(diethylaminomethyl)furan-2-carbonyl]-methylamino]-2-methylpropanoic acid
CID 62818999
methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate
CID 78807669
2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 82043257
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid
CID 43354351
5-(diethylaminomethyl)-N-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 43430673
N'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide
CID 55523239

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid (CID 43354372) is 2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid is CCN(CC)Cc1ccc(C(=O)NCC(=O)O)o1.
What is the InChIKey of 2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid?
The InChIKey is QROJYJNNIMZOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-14(4-2)8-9-5-6-10(18-9)12(17)13-7-11(15)16/h5-6H,3-4,7-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid?
2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 43354372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).