3-[(4-ethoxy-4-oxobutyl)carbamoylamino]-2,2,3-trimethylbutanoic acid

C14H26N2O5 — CID 65265130

IUPAC3-[(4-ethoxy-4-oxobutyl)carbamoylamino]-2,2,3-trimethylbutanoic acid
SMILESCCOC(=O)CCCNC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H26N2O5/c1-6-21-10(17)8-7-9-15-12(20)16-14(4,5)13(2,3)11(18)19/h6-9H2,1-5H3,(H,18,19)(H2,15,16,20)
InChIKeyLSUZHZLNACNYDN-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.52
Rot. Bonds8

About 3-[(4-ethoxy-4-oxobutyl)carbamoylamino]-2,2,3-trimethylbutanoic acid

3-[(4-ethoxy-4-oxobutyl)carbamoylamino]-2,2,3-trimethylbutanoic acid (PubChem CID 65265130) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-[(4-ethoxy-4-oxobutyl)carbamoylamino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[(4-ethoxy-4-oxobutyl)carbamoylamino]-2,2,3-trimethylbutanoic acid
PubChem CID65265130
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name3-[(4-ethoxy-4-oxobutyl)carbamoylamino]-2,2,3-trimethylbutanoic acid
SMILESCCOC(=O)CCCNC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H26N2O5/c1-6-21-10(17)8-7-9-15-12(20)16-14(4,5)13(2,3)11(18)19/h6-9H2,1-5H3,(H,18,19)(H2,15,16,20)
InChIKeyLSUZHZLNACNYDN-UHFFFAOYSA-N
XLogP1.52
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(4-ethoxy-4-oxobutyl)carbamoylamino]-2,2,3-trimethylbutanoic 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

4-[(4-ethoxy-4-oxobutyl)carbamoylamino]-4-methylpentanoic acid
CID 64576045
3-(hexylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265326
ethyl 4-(butylcarbamoylamino)butanoate
CID 60677353
ethyl 6-[(4-ethoxy-4-oxobutyl)carbamoylamino]hexanoate
CID 3344425
3-(2-acetamidoethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65266386
2,2,3-trimethyl-3-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid
CID 106004455
ethyl 4-(ethoxycarbonylamino)butanoate
CID 14140662
ethyl 4-hydrazinylbutanoate;hydrochloride
CID 88780501
3-[2-(diethylamino)ethylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65265934
3-[3-(cyclopropylamino)propylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65266295
ethyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734875
5-[(4-ethoxy-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64576360

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxy-4-oxobutyl)carbamoylamino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[(4-ethoxy-4-oxobutyl)carbamoylamino]-2,2,3-trimethylbutanoic acid (CID 65265130) is 3-[(4-ethoxy-4-oxobutyl)carbamoylamino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[(4-ethoxy-4-oxobutyl)carbamoylamino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[(4-ethoxy-4-oxobutyl)carbamoylamino]-2,2,3-trimethylbutanoic acid is CCOC(=O)CCCNC(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-[(4-ethoxy-4-oxobutyl)carbamoylamino]-2,2,3-trimethylbutanoic acid?
The InChIKey is LSUZHZLNACNYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-6-21-10(17)8-7-9-15-12(20)16-14(4,5)13(2,3)11(18)19/h6-9H2,1-5H3,(H,18,19)(H2,15,16,20).
What are the key properties of 3-[(4-ethoxy-4-oxobutyl)carbamoylamino]-2,2,3-trimethylbutanoic acid?
3-[(4-ethoxy-4-oxobutyl)carbamoylamino]-2,2,3-trimethylbutanoic acid has a molecular weight of 302.37 g/mol, XLogP of 1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxy-4-oxobutyl)carbamoylamino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65265130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).