2-(3-ethoxypropylcarbamoylamino)-2-methylpentanoic acid

C12H24N2O4 — CID 61190758

IUPAC2-(3-ethoxypropylcarbamoylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)NCCCOCC)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-4-7-12(3,10(15)16)14-11(17)13-8-6-9-18-5-2/h4-9H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyPBZQTERIYLRMBC-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.36
Rot. Bonds9

About 2-(3-ethoxypropylcarbamoylamino)-2-methylpentanoic acid

2-(3-ethoxypropylcarbamoylamino)-2-methylpentanoic acid (PubChem CID 61190758) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-(3-ethoxypropylcarbamoylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(3-ethoxypropylcarbamoylamino)-2-methylpentanoic acid
PubChem CID61190758
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-(3-ethoxypropylcarbamoylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)NCCCOCC)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-4-7-12(3,10(15)16)14-11(17)13-8-6-9-18-5-2/h4-9H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyPBZQTERIYLRMBC-UHFFFAOYSA-N
XLogP1.36
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-butoxypropylcarbamoylamino)-2-methylpentanoic acid
CID 103994211
2-(butylcarbamoylamino)-2-methylpentanoic acid
CID 43619164
2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]-2-methylpentanoic acid
CID 79380842
1-(3-ethoxypropyl)-3-ethylurea
CID 108890430
3,3,3-trifluoro-2-methyl-2-(3-propoxypropylcarbamoylamino)propanoic acid
CID 82944077
2-amino-N-(3-ethoxypropyl)-2-methylpentanamide
CID 60848573
2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid
CID 63244361
2-methyl-2-(nonylcarbamoylamino)butanoic acid
CID 43129072
2-(decylcarbamoylamino)-2-methylbutanoic acid
CID 63481197
2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid
CID 79350072
2-methyl-2-(3-methylbut-2-enylcarbamoylamino)pentanoic acid
CID 106191134
4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65297863

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropylcarbamoylamino)-2-methylpentanoic acid?
The IUPAC name of 2-(3-ethoxypropylcarbamoylamino)-2-methylpentanoic acid (CID 61190758) is 2-(3-ethoxypropylcarbamoylamino)-2-methylpentanoic acid.
What is the SMILES notation for 2-(3-ethoxypropylcarbamoylamino)-2-methylpentanoic acid?
The canonical SMILES for 2-(3-ethoxypropylcarbamoylamino)-2-methylpentanoic acid is CCCC(C)(NC(=O)NCCCOCC)C(=O)O.
What is the InChIKey of 2-(3-ethoxypropylcarbamoylamino)-2-methylpentanoic acid?
The InChIKey is PBZQTERIYLRMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-4-7-12(3,10(15)16)14-11(17)13-8-6-9-18-5-2/h4-9H2,1-3H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-(3-ethoxypropylcarbamoylamino)-2-methylpentanoic acid?
2-(3-ethoxypropylcarbamoylamino)-2-methylpentanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.36, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropylcarbamoylamino)-2-methylpentanoic acid is sourced from PubChem (CID 61190758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).