3-[ethyl-[1-(furan-2-yl)propan-2-yl]amino]propanoic acid

C12H19NO3 — CID 65062809

IUPAC3-[ethyl-[1-(furan-2-yl)propan-2-yl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(C)Cc1ccco1
InChIInChI=1S/C12H19NO3/c1-3-13(7-6-12(14)15)10(2)9-11-5-4-8-16-11/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,14,15)
InChIKeyRZOWKLLPXFVOSZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.01
Rot. Bonds7

About 3-[ethyl-[1-(furan-2-yl)propan-2-yl]amino]propanoic acid

3-[ethyl-[1-(furan-2-yl)propan-2-yl]amino]propanoic acid (PubChem CID 65062809) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[ethyl-[1-(furan-2-yl)propan-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[1-(furan-2-yl)propan-2-yl]amino]propanoic acid
PubChem CID65062809
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-[ethyl-[1-(furan-2-yl)propan-2-yl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(C)Cc1ccco1
InChIInChI=1S/C12H19NO3/c1-3-13(7-6-12(14)15)10(2)9-11-5-4-8-16-11/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,14,15)
InChIKeyRZOWKLLPXFVOSZ-UHFFFAOYSA-N
XLogP2.01
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropyl)furan;propanoic acid
CID 158583493
2-[1-(furan-2-yl)propan-2-yl-prop-2-enylamino]acetic acid
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3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61420879
3-[ethyl-[3-(furan-2-yl)propanoyl]amino]propanoic acid
CID 61008139
3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid
CID 43708955
3-[ethylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 50894680
3-[[ethyl(furan-2-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61420829
2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]pentanedioic acid
CID 61471226
(2S)-2-(furan-2-ylmethyl)butanoic acid
CID 38989143
N'-butan-2-yl-N'-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62559419
3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid
CID 82323491
(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
CID 97184369

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[1-(furan-2-yl)propan-2-yl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[1-(furan-2-yl)propan-2-yl]amino]propanoic acid (CID 65062809) is 3-[ethyl-[1-(furan-2-yl)propan-2-yl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[1-(furan-2-yl)propan-2-yl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[1-(furan-2-yl)propan-2-yl]amino]propanoic acid is CCN(CCC(=O)O)C(C)Cc1ccco1.
What is the InChIKey of 3-[ethyl-[1-(furan-2-yl)propan-2-yl]amino]propanoic acid?
The InChIKey is RZOWKLLPXFVOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-13(7-6-12(14)15)10(2)9-11-5-4-8-16-11/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,14,15).
What are the key properties of 3-[ethyl-[1-(furan-2-yl)propan-2-yl]amino]propanoic acid?
3-[ethyl-[1-(furan-2-yl)propan-2-yl]amino]propanoic acid has a molecular weight of 225.29 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[1-(furan-2-yl)propan-2-yl]amino]propanoic acid is sourced from PubChem (CID 65062809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).