7-amino-4-[2-(2-methoxyethoxy)ethylcarbamoyl]-6-oxodecanoic acid

C16H30N2O6 — CID 59434615

IUPAC7-amino-4-[2-(2-methoxyethoxy)ethylcarbamoyl]-6-oxodecanoic acid
SMILESCCCC(N)C(=O)CC(CCC(=O)O)C(=O)NCCOCCOC
InChIInChI=1S/C16H30N2O6/c1-3-4-13(17)14(19)11-12(5-6-15(20)21)16(22)18-7-8-24-10-9-23-2/h12-13H,3-11,17H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyVNNJCTRIXIBIFS-UHFFFAOYSA-N
MW346.42 g/mol
LogP0.33
Rot. Bonds15

About 7-amino-4-[2-(2-methoxyethoxy)ethylcarbamoyl]-6-oxodecanoic acid

7-amino-4-[2-(2-methoxyethoxy)ethylcarbamoyl]-6-oxodecanoic acid (PubChem CID 59434615) has the molecular formula C16H30N2O6 and a molecular weight of 346.42 g/mol. Its IUPAC name is 7-amino-4-[2-(2-methoxyethoxy)ethylcarbamoyl]-6-oxodecanoic acid.

Molecular Properties

Compound Name7-amino-4-[2-(2-methoxyethoxy)ethylcarbamoyl]-6-oxodecanoic acid
PubChem CID59434615
Molecular FormulaC16H30N2O6
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC Name7-amino-4-[2-(2-methoxyethoxy)ethylcarbamoyl]-6-oxodecanoic acid
SMILESCCCC(N)C(=O)CC(CCC(=O)O)C(=O)NCCOCCOC
InChIInChI=1S/C16H30N2O6/c1-3-4-13(17)14(19)11-12(5-6-15(20)21)16(22)18-7-8-24-10-9-23-2/h12-13H,3-11,17H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyVNNJCTRIXIBIFS-UHFFFAOYSA-N
XLogP0.33
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid
CID 64890122
(2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide
CID 79023015
(3S,6S)-3-[[(2R,5S)-5-(butanoylamino)-6-carboxy-2-(3-ethoxy-3-oxopropyl)-4-oxohexanoyl]amino]-6-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-4-oxooctanedioic acid
CID 162036237
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid
CID 64888561
(2S)-2-amino-N-(2-ethoxyethyl)pentanamide
CID 107568294
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 78977070
2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid
CID 79456586
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentanamide
CID 104903353
4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid
CID 64894801
(2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 141222319
(4S)-4-amino-5-oxooctanoic acid
CID 90935550

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-[2-(2-methoxyethoxy)ethylcarbamoyl]-6-oxodecanoic acid?
The IUPAC name of 7-amino-4-[2-(2-methoxyethoxy)ethylcarbamoyl]-6-oxodecanoic acid (CID 59434615) is 7-amino-4-[2-(2-methoxyethoxy)ethylcarbamoyl]-6-oxodecanoic acid.
What is the SMILES notation for 7-amino-4-[2-(2-methoxyethoxy)ethylcarbamoyl]-6-oxodecanoic acid?
The canonical SMILES for 7-amino-4-[2-(2-methoxyethoxy)ethylcarbamoyl]-6-oxodecanoic acid is CCCC(N)C(=O)CC(CCC(=O)O)C(=O)NCCOCCOC.
What is the InChIKey of 7-amino-4-[2-(2-methoxyethoxy)ethylcarbamoyl]-6-oxodecanoic acid?
The InChIKey is VNNJCTRIXIBIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O6/c1-3-4-13(17)14(19)11-12(5-6-15(20)21)16(22)18-7-8-24-10-9-23-2/h12-13H,3-11,17H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 7-amino-4-[2-(2-methoxyethoxy)ethylcarbamoyl]-6-oxodecanoic acid?
7-amino-4-[2-(2-methoxyethoxy)ethylcarbamoyl]-6-oxodecanoic acid has a molecular weight of 346.42 g/mol, XLogP of 0.33, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-[2-(2-methoxyethoxy)ethylcarbamoyl]-6-oxodecanoic acid is sourced from PubChem (CID 59434615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).