3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid

C12H15NO4 — CID 82323935

IUPAC3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid
SMILESO=C(O)CCN(Cc1ccco1)C(=O)C1CC1
InChIInChI=1S/C12H15NO4/c14-11(15)5-6-13(12(16)9-3-4-9)8-10-2-1-7-17-10/h1-2,7,9H,3-6,8H2,(H,14,15)
InChIKeyMMHMMBWCAHNPJY-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.49
Rot. Bonds6

About 3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid

3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid (PubChem CID 82323935) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid
PubChem CID82323935
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid
SMILESO=C(O)CCN(Cc1ccco1)C(=O)C1CC1
InChIInChI=1S/C12H15NO4/c14-11(15)5-6-13(12(16)9-3-4-9)8-10-2-1-7-17-10/h1-2,7,9H,3-6,8H2,(H,14,15)
InChIKeyMMHMMBWCAHNPJY-UHFFFAOYSA-N
XLogP1.49
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61420879
4-(aminomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 79512015
3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid
CID 82323491
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782822
4-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673186
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1058293
3-[[ethyl(furan-2-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61420829
N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-1-(oxan-4-yl)piperidine-4-carboxamide
CID 74234608
N-(furan-2-ylmethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 99852493
3-[ethoxycarbonyl(furan-2-ylmethyl)amino]propanoic acid;ethyl 3-[ethoxycarbonyl(furan-2-ylmethyl)amino]propanoate
CID 162128156

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid (CID 82323935) is 3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid is O=C(O)CCN(Cc1ccco1)C(=O)C1CC1.
What is the InChIKey of 3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid?
The InChIKey is MMHMMBWCAHNPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-11(15)5-6-13(12(16)9-3-4-9)8-10-2-1-7-17-10/h1-2,7,9H,3-6,8H2,(H,14,15).
What are the key properties of 3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid?
3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 82323935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).