2-[ethyl-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid

C18H28N2O3 — CID 122043157

IUPAC2-[ethyl-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(Cc2ccc(C3CC3C)o2)CC1
InChIInChI=1S/C18H28N2O3/c1-3-20(12-18(21)22)14-6-8-19(9-7-14)11-15-4-5-17(23-15)16-10-13(16)2/h4-5,13-14,16H,3,6-12H2,1-2H3,(H,21,22)
InChIKeyZZCLMBLCUXOGSJ-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.77
Rot. Bonds7

About 2-[ethyl-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid

2-[ethyl-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid (PubChem CID 122043157) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[ethyl-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid
PubChem CID122043157
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[ethyl-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(Cc2ccc(C3CC3C)o2)CC1
InChIInChI=1S/C18H28N2O3/c1-3-20(12-18(21)22)14-6-8-19(9-7-14)11-15-4-5-17(23-15)16-10-13(16)2/h4-5,13-14,16H,3,6-12H2,1-2H3,(H,21,22)
InChIKeyZZCLMBLCUXOGSJ-UHFFFAOYSA-N
XLogP2.77
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid with MolForge

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Related Compounds

1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
CID 65056448
2-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]acetic acid
CID 65069383
2-[3-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]oxyacetic acid
CID 102660117
2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 97091734
4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine
CID 79116107
2-[ethyl-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid
CID 122043129
N-methyl-1-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanamine
CID 55168091
2-[methyl-[1-[[5-(4-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid
CID 122042886
2-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 75438560
2-[[1-[(2-bromo-4-methoxyphenyl)methyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122043148
2-[[1-(1-benzofuran-7-ylmethyl)piperidin-4-yl]-ethylamino]acetic acid
CID 122043096
2-[ethyl-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122043091

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid (CID 122043157) is 2-[ethyl-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid is CCN(CC(=O)O)C1CCN(Cc2ccc(C3CC3C)o2)CC1.
What is the InChIKey of 2-[ethyl-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid?
The InChIKey is ZZCLMBLCUXOGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-20(12-18(21)22)14-6-8-19(9-7-14)11-15-4-5-17(23-15)16-10-13(16)2/h4-5,13-14,16H,3,6-12H2,1-2H3,(H,21,22).
What are the key properties of 2-[ethyl-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid?
2-[ethyl-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid has a molecular weight of 320.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 122043157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).