4-oxo-4-(2-propan-2-yloxyethylcarbamoylamino)butanoic acid

C10H18N2O5 — CID 104762323

IUPAC4-oxo-4-(2-propan-2-yloxyethylcarbamoylamino)butanoic acid
SMILESCC(C)OCCNC(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C10H18N2O5/c1-7(2)17-6-5-11-10(16)12-8(13)3-4-9(14)15/h7H,3-6H2,1-2H3,(H,14,15)(H2,11,12,13,16)
InChIKeyTUEYOQOJLJAUPT-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.10
Rot. Bonds7

About 4-oxo-4-(2-propan-2-yloxyethylcarbamoylamino)butanoic acid

4-oxo-4-(2-propan-2-yloxyethylcarbamoylamino)butanoic acid (PubChem CID 104762323) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-oxo-4-(2-propan-2-yloxyethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(2-propan-2-yloxyethylcarbamoylamino)butanoic acid
PubChem CID104762323
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name4-oxo-4-(2-propan-2-yloxyethylcarbamoylamino)butanoic acid
SMILESCC(C)OCCNC(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C10H18N2O5/c1-7(2)17-6-5-11-10(16)12-8(13)3-4-9(14)15/h7H,3-6H2,1-2H3,(H,14,15)(H2,11,12,13,16)
InChIKeyTUEYOQOJLJAUPT-UHFFFAOYSA-N
XLogP0.10
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid
CID 43153371
(E)-4-oxo-4-(2-propan-2-yloxyethylcarbamoylamino)but-2-enoic acid
CID 104762324
4-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-4-oxobutanoic acid
CID 28745891
(2S)-2-(2-propan-2-yloxyethylcarbamoylamino)propanoic acid
CID 104763805
3-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)propanamide
CID 104761146
molecular hydrogen;4-oxo-N-(2-propan-2-yloxyethyl)hexanamide
CID 167491249
2-cyclopropyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid
CID 104763656
3-(2-propan-2-yloxyethylcarbamoylamino)hexanoic acid
CID 104763831
5-(4-propan-2-yloxybutanoylamino)pentanoic acid
CID 120687441
2-propan-2-yloxyethylurea
CID 22179539
4-(2,2-dimethylpropylcarbamoylamino)-4-oxobutanoic acid
CID 61166887
4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid
CID 43552577

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(2-propan-2-yloxyethylcarbamoylamino)butanoic acid?
The IUPAC name of 4-oxo-4-(2-propan-2-yloxyethylcarbamoylamino)butanoic acid (CID 104762323) is 4-oxo-4-(2-propan-2-yloxyethylcarbamoylamino)butanoic acid.
What is the SMILES notation for 4-oxo-4-(2-propan-2-yloxyethylcarbamoylamino)butanoic acid?
The canonical SMILES for 4-oxo-4-(2-propan-2-yloxyethylcarbamoylamino)butanoic acid is CC(C)OCCNC(=O)NC(=O)CCC(=O)O.
What is the InChIKey of 4-oxo-4-(2-propan-2-yloxyethylcarbamoylamino)butanoic acid?
The InChIKey is TUEYOQOJLJAUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-7(2)17-6-5-11-10(16)12-8(13)3-4-9(14)15/h7H,3-6H2,1-2H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 4-oxo-4-(2-propan-2-yloxyethylcarbamoylamino)butanoic acid?
4-oxo-4-(2-propan-2-yloxyethylcarbamoylamino)butanoic acid has a molecular weight of 246.26 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(2-propan-2-yloxyethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 104762323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).