propan-2-yl 4-oxo-4-(4-prop-2-enoyloxybutylamino)butanoate

C14H23NO5 — CID 59532817

IUPACpropan-2-yl 4-oxo-4-(4-prop-2-enoyloxybutylamino)butanoate
SMILESC=CC(=O)OCCCCNC(=O)CCC(=O)OC(C)C
InChIInChI=1S/C14H23NO5/c1-4-13(17)19-10-6-5-9-15-12(16)7-8-14(18)20-11(2)3/h4,11H,1,5-10H2,2-3H3,(H,15,16)
InChIKeyLUTRGTQMTGRENZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.34
Rot. Bonds10

About propan-2-yl 4-oxo-4-(4-prop-2-enoyloxybutylamino)butanoate

propan-2-yl 4-oxo-4-(4-prop-2-enoyloxybutylamino)butanoate (PubChem CID 59532817) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is propan-2-yl 4-oxo-4-(4-prop-2-enoyloxybutylamino)butanoate.

Molecular Properties

Compound Namepropan-2-yl 4-oxo-4-(4-prop-2-enoyloxybutylamino)butanoate
PubChem CID59532817
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Namepropan-2-yl 4-oxo-4-(4-prop-2-enoyloxybutylamino)butanoate
SMILESC=CC(=O)OCCCCNC(=O)CCC(=O)OC(C)C
InChIInChI=1S/C14H23NO5/c1-4-13(17)19-10-6-5-9-15-12(16)7-8-14(18)20-11(2)3/h4,11H,1,5-10H2,2-3H3,(H,15,16)
InChIKeyLUTRGTQMTGRENZ-UHFFFAOYSA-N
XLogP1.34
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 4-oxo-7-prop-2-enoyloxyheptanoate
CID 58298925
propan-2-yl 4-[4-(2-methylprop-2-enoylamino)butylamino]-4-oxobutanoate
CID 59532979
1-O-[3-(propanoylamino)propyl] 4-O-propan-2-yl butanedioate
CID 126495759
[2-oxo-2-[3-oxo-3-[(3-oxo-3-propan-2-yloxypropyl)amino]propoxy]ethylidene]cobalt
CID 173495817
4-(iodooxycarbonylamino)butyl prop-2-enoate
CID 154989529
9-(iodooxycarbonylamino)nonyl prop-2-enoate
CID 154989530
5-(ethoxycarbonylamino)pentyl prop-2-enoate
CID 118485730
4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide
CID 88906866
2-prop-2-enoyloxyethyl 6-[3-oxo-3-(propylamino)propanoyl]oxyhexanoate
CID 59645598
3-[6-(3-prop-2-enoyloxypropoxycarbonylamino)hexylcarbamoyloxy]propyl prop-2-enoate
CID 58975893
4-tri(propan-2-yloxy)silylbutyl prop-2-enoate
CID 141323279
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-oxo-4-(4-prop-2-enoyloxybutylamino)butanoate?
The IUPAC name of propan-2-yl 4-oxo-4-(4-prop-2-enoyloxybutylamino)butanoate (CID 59532817) is propan-2-yl 4-oxo-4-(4-prop-2-enoyloxybutylamino)butanoate.
What is the SMILES notation for propan-2-yl 4-oxo-4-(4-prop-2-enoyloxybutylamino)butanoate?
The canonical SMILES for propan-2-yl 4-oxo-4-(4-prop-2-enoyloxybutylamino)butanoate is C=CC(=O)OCCCCNC(=O)CCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 4-oxo-4-(4-prop-2-enoyloxybutylamino)butanoate?
The InChIKey is LUTRGTQMTGRENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-4-13(17)19-10-6-5-9-15-12(16)7-8-14(18)20-11(2)3/h4,11H,1,5-10H2,2-3H3,(H,15,16).
What are the key properties of propan-2-yl 4-oxo-4-(4-prop-2-enoyloxybutylamino)butanoate?
propan-2-yl 4-oxo-4-(4-prop-2-enoyloxybutylamino)butanoate has a molecular weight of 285.34 g/mol, XLogP of 1.34, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-oxo-4-(4-prop-2-enoyloxybutylamino)butanoate is sourced from PubChem (CID 59532817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).