5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid

C10H20N2O4 — CID 104686069

IUPAC5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid
SMILESCOCCNC(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-8(9(13)14)4-3-5-11-10(15)12-6-7-16-2/h8H,3-7H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyLGPDACRTWIZRNH-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.43
Rot. Bonds8

About 5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid

5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid (PubChem CID 104686069) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid
PubChem CID104686069
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid
SMILESCOCCNC(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-8(9(13)14)4-3-5-11-10(15)12-6-7-16-2/h8H,3-7H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyLGPDACRTWIZRNH-UHFFFAOYSA-N
XLogP0.43
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 104686692
2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid
CID 104682853
2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid
CID 113441245
5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686485
4-(2-butoxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80541936
2-methyl-5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]pentanoic acid
CID 104686919
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747
N-[4-(2-methoxyethylcarbamoylamino)butyl]acetamide
CID 110415978
4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid
CID 80540820
2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoylamino)pentanoic acid
CID 104686613
azane;4-methoxy-2-methylbutanoic acid
CID 174560200
4-[(4-amino-4-oxobutyl)carbamoylamino]-2-methylbutanoic acid
CID 80540555

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid?
The IUPAC name of 5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid (CID 104686069) is 5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid.
What is the SMILES notation for 5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid?
The canonical SMILES for 5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid is COCCNC(=O)NCCCC(C)C(=O)O.
What is the InChIKey of 5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid?
The InChIKey is LGPDACRTWIZRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-8(9(13)14)4-3-5-11-10(15)12-6-7-16-2/h8H,3-7H2,1-2H3,(H,13,14)(H2,11,12,15).
What are the key properties of 5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid?
5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid is sourced from PubChem (CID 104686069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).