1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C11H13NO4 — CID 114819162

IUPAC1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(C(=O)NCC2(C(=O)O)CC2)co1
InChIInChI=1S/C11H13NO4/c1-7-4-8(5-16-7)9(13)12-6-11(2-3-11)10(14)15/h4-5H,2-3,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyFDACETBAAGVMSO-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.18
Rot. Bonds4

About 1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 114819162) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID114819162
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(C(=O)NCC2(C(=O)O)CC2)co1
InChIInChI=1S/C11H13NO4/c1-7-4-8(5-16-7)9(13)12-6-11(2-3-11)10(14)15/h4-5H,2-3,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyFDACETBAAGVMSO-UHFFFAOYSA-N
XLogP1.18
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 114818940
1-[[(3-bromo-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312051
1-[[(4-tert-butylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449901
5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide
CID 114819329
1-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113311941
1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449752
4-[[(4-fluoro-3-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438418
1-[[[3-[2-(methylamino)ethyl]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 145495359
1-[(1H-indole-6-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449311
1-[[(3-fluoro-4-methylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81368916
4-[[(3-hydroxybenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438410
4-[[(3,4-dihydroxybenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 107728193

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 114819162) is 1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is Cc1cc(C(=O)NCC2(C(=O)O)CC2)co1.
What is the InChIKey of 1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is FDACETBAAGVMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7-4-8(5-16-7)9(13)12-6-11(2-3-11)10(14)15/h4-5H,2-3,6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 114819162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).