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

C13H18N2O5 — CID 61008405

IUPAC3-[ethyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)CN(C)C(=O)c1ccco1
InChIInChI=1S/C13H18N2O5/c1-3-15(7-6-12(17)18)11(16)9-14(2)13(19)10-5-4-8-20-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyXCPOMCDNHXVYIB-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.67
Rot. Bonds7

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

3-[ethyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid (PubChem CID 61008405) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[ethyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
PubChem CID61008405
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name3-[ethyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)CN(C)C(=O)c1ccco1
InChIInChI=1S/C13H18N2O5/c1-3-15(7-6-12(17)18)11(16)9-14(2)13(19)10-5-4-8-20-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyXCPOMCDNHXVYIB-UHFFFAOYSA-N
XLogP0.67
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylamino)ethyl-(furan-2-carbonyl)amino]propanoic acid
CID 82324378
3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 43170664
N-[2-(ethoxyamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 47149757
N-[2-[2-hydroxyethyl(prop-2-enyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 115775719
N-methyl-N-(2-methylprop-2-enyl)furan-2-carboxamide
CID 115968439
3-[ethyl-[3-(furan-2-yl)propanoyl]amino]propanoic acid
CID 61008139
methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
2-[furan-2-carbonyl(methyl)amino]acetate
CID 6943452
N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55060862
3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid
CID 61007980
2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid
CID 61022719
N-butyl-N-methylfuran-2-carboxamide
CID 60670878

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid (CID 61008405) is 3-[ethyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)CN(C)C(=O)c1ccco1.
What is the InChIKey of 3-[ethyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid?
The InChIKey is XCPOMCDNHXVYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-3-15(7-6-12(17)18)11(16)9-14(2)13(19)10-5-4-8-20-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of 3-[ethyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid?
3-[ethyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid has a molecular weight of 282.30 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 61008405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).