5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid

C13H19NO4 — CID 115163900

IUPAC5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid
SMILESCc1ccc(CCN(C)C(=O)CCCC(=O)O)o1
InChIInChI=1S/C13H19NO4/c1-10-6-7-11(18-10)8-9-14(2)12(15)4-3-5-13(16)17/h6-7H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyLILQUELUKCWVFV-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.84
Rot. Bonds7

About 5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid

5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid (PubChem CID 115163900) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid
PubChem CID115163900
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid
SMILESCc1ccc(CCN(C)C(=O)CCCC(=O)O)o1
InChIInChI=1S/C13H19NO4/c1-10-6-7-11(18-10)8-9-14(2)12(15)4-3-5-13(16)17/h6-7H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyLILQUELUKCWVFV-UHFFFAOYSA-N
XLogP1.84
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 94695505
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994
5-[2-(5-methylfuran-2-yl)ethylamino]pentanoic acid
CID 115219138
5-[2-(3-bromophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 115163898
1,11-bis(5-methylfuran-2-yl)undecane-3,6,9-trione
CID 71384501
3-amino-2-hydroxy-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 115180865
4-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]butanoic acid
CID 60833315
7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
CID 43514689
2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanedioic acid
CID 115144679
2-(aminomethyl)-N,3-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide
CID 115187599
N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-2-morpholin-2-ylacetamide
CID 115178233

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid (CID 115163900) is 5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid is Cc1ccc(CCN(C)C(=O)CCCC(=O)O)o1.
What is the InChIKey of 5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid?
The InChIKey is LILQUELUKCWVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-10-6-7-11(18-10)8-9-14(2)12(15)4-3-5-13(16)17/h6-7H,3-5,8-9H2,1-2H3,(H,16,17).
What are the key properties of 5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid?
5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 115163900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).