4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid

C12H24N2O4 — CID 81057369

IUPAC4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCOCCN(C)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-18-9-8-14(4)11(17)13-12(2,3)7-6-10(15)16/h5-9H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyWOJBQAOADASRMU-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.31
Rot. Bonds8

About 4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid

4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid (PubChem CID 81057369) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
PubChem CID81057369
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCOCCN(C)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-18-9-8-14(4)11(17)13-12(2,3)7-6-10(15)16/h5-9H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyWOJBQAOADASRMU-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 63690077
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 55228127
4-methyl-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid
CID 79864148
3-[2-ethoxyethyl(methyl)amino]propanoic acid
CID 60988072
4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62048521
4-methyl-4-[[propan-2-yl(propyl)carbamoyl]amino]pentanoic acid
CID 62048697
2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 81057647
3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 81057768
2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid
CID 81061794
4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid
CID 62049660
4-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 62921763
3-[bis(2-ethoxyethyl)sulfamoyl-methylamino]propanoic acid
CID 82960749

Frequently Asked Questions

What is the IUPAC name of 4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid (CID 81057369) is 4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid is CCOCCN(C)C(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is WOJBQAOADASRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-18-9-8-14(4)11(17)13-12(2,3)7-6-10(15)16/h5-9H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid?
4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 81057369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).