3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid

C11H14N2O5 — CID 43170664

IUPAC3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
SMILESCN(CC(=O)NCCC(=O)O)C(=O)c1ccco1
InChIInChI=1S/C11H14N2O5/c1-13(11(17)8-3-2-6-18-8)7-9(14)12-5-4-10(15)16/h2-3,6H,4-5,7H2,1H3,(H,12,14)(H,15,16)
InChIKeyRRGIHFZGLIPEAS-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.06
Rot. Bonds6

About 3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid

3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid (PubChem CID 43170664) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
PubChem CID43170664
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
SMILESCN(CC(=O)NCCC(=O)O)C(=O)c1ccco1
InChIInChI=1S/C11H14N2O5/c1-13(11(17)8-3-2-6-18-8)7-9(14)12-5-4-10(15)16/h2-3,6H,4-5,7H2,1H3,(H,12,14)(H,15,16)
InChIKeyRRGIHFZGLIPEAS-UHFFFAOYSA-N
XLogP-0.06
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-oxo-2-[[(E)-pent-3-enyl]amino]ethyl]furan-2-carboxamide
CID 113236489
3-[ethyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 61008405
3-[[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]methyl]pentanoic acid
CID 81063172
N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 26897595
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[2-(ethoxyamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 47149757
methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
N-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 43047860
2-[furan-2-carbonyl(methyl)amino]acetate
CID 6943452
N-methyl-N-(2-methylprop-2-enyl)furan-2-carboxamide
CID 115968439
N-methyl-N-[2-oxo-2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]ethyl]furan-2-carboxamide
CID 51122387
N-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 35555182

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid (CID 43170664) is 3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid is CN(CC(=O)NCCC(=O)O)C(=O)c1ccco1.
What is the InChIKey of 3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid?
The InChIKey is RRGIHFZGLIPEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-13(11(17)8-3-2-6-18-8)7-9(14)12-5-4-10(15)16/h2-3,6H,4-5,7H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid?
3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid has a molecular weight of 254.24 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 43170664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).