2-[ethyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetic acid

C12H16N2O5 — CID 54901043

IUPAC2-[ethyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCNC(=O)c1ccoc1
InChIInChI=1S/C12H16N2O5/c1-2-14(7-11(16)17)10(15)3-5-13-12(18)9-4-6-19-8-9/h4,6,8H,2-3,5,7H2,1H3,(H,13,18)(H,16,17)
InChIKeyMIRLSDJGPBKEFR-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.33
Rot. Bonds7

About 2-[ethyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetic acid

2-[ethyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetic acid (PubChem CID 54901043) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[ethyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetic acid
PubChem CID54901043
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-[ethyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCNC(=O)c1ccoc1
InChIInChI=1S/C12H16N2O5/c1-2-14(7-11(16)17)10(15)3-5-13-12(18)9-4-6-19-8-9/h4,6,8H,2-3,5,7H2,1H3,(H,13,18)(H,16,17)
InChIKeyMIRLSDJGPBKEFR-UHFFFAOYSA-N
XLogP0.33
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[benzyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetate
CID 113227718
N-pentylfuran-3-carboxamide
CID 91139562
N-[3-[cyclooctyl(methyl)amino]-3-oxopropyl]furan-3-carboxamide
CID 47089544
N-decylfuran-3-carboxamide
CID 117059205
butyl 3-(furan-3-carbonylamino)propanoate
CID 112727943
2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid
CID 61022719
(2S)-2-[3-(furan-3-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 61136349
N-[3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide
CID 38769575
N-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide
CID 107034718
2-[carboxymethyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetic acid
CID 63645564
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440
N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide
CID 43427988

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetic acid (CID 54901043) is 2-[ethyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)CCNC(=O)c1ccoc1.
What is the InChIKey of 2-[ethyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetic acid?
The InChIKey is MIRLSDJGPBKEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-2-14(7-11(16)17)10(15)3-5-13-12(18)9-4-6-19-8-9/h4,6,8H,2-3,5,7H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[ethyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetic acid?
2-[ethyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetic acid has a molecular weight of 268.27 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetic acid is sourced from PubChem (CID 54901043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).