2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid

C13H18N2O5 — CID 61022719

IUPAC2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCCNC(=O)c1ccco1
InChIInChI=1S/C13H18N2O5/c1-2-15(9-12(17)18)11(16)6-3-7-14-13(19)10-5-4-8-20-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,14,19)(H,17,18)
InChIKeyDNUXOSODZKCVPK-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.72
Rot. Bonds8

About 2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid

2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid (PubChem CID 61022719) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid
PubChem CID61022719
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCCNC(=O)c1ccco1
InChIInChI=1S/C13H18N2O5/c1-2-15(9-12(17)18)11(16)6-3-7-14-13(19)10-5-4-8-20-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,14,19)(H,17,18)
InChIKeyDNUXOSODZKCVPK-UHFFFAOYSA-N
XLogP0.72
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 37429112
N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 60740288
2-[2-(dimethylamino)ethyl-[2-(furan-2-carbonylamino)acetyl]amino]acetic acid
CID 107423415
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[3-(ethylamino)propyl]furan-2-carboxamide
CID 43601657
2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate
CID 86914497
N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51181607
N-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 104709123
3-[ethyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 61008405
N-[4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 34755792
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid (CID 61022719) is 2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)CCCNC(=O)c1ccco1.
What is the InChIKey of 2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid?
The InChIKey is DNUXOSODZKCVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-2-15(9-12(17)18)11(16)6-3-7-14-13(19)10-5-4-8-20-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid?
2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid has a molecular weight of 282.30 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid is sourced from PubChem (CID 61022719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).