ethyl 3-oxo-5-(phenylmethoxycarbonylamino)pentanoate

C15H19NO5 — CID 15195445

IUPACethyl 3-oxo-5-(phenylmethoxycarbonylamino)pentanoate
SMILESCCOC(=O)CC(=O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c1-2-20-14(18)10-13(17)8-9-16-15(19)21-11-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,19)
InChIKeyUBAFRLFIQRXDBU-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.83
Rot. Bonds8

About ethyl 3-oxo-5-(phenylmethoxycarbonylamino)pentanoate

ethyl 3-oxo-5-(phenylmethoxycarbonylamino)pentanoate (PubChem CID 15195445) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 3-oxo-5-(phenylmethoxycarbonylamino)pentanoate.

Molecular Properties

Compound Nameethyl 3-oxo-5-(phenylmethoxycarbonylamino)pentanoate
PubChem CID15195445
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Nameethyl 3-oxo-5-(phenylmethoxycarbonylamino)pentanoate
SMILESCCOC(=O)CC(=O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c1-2-20-14(18)10-13(17)8-9-16-15(19)21-11-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,19)
InChIKeyUBAFRLFIQRXDBU-UHFFFAOYSA-N
XLogP1.83
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[2-[2-(ethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 139472317
ethyl 4-ethyl-3-oxo-7-(phenylmethoxycarbonylamino)heptanoate
CID 121286565
ethyl (5S)-5-methyl-9-(phenylmethoxycarbonylamino)nonanoate
CID 158070429
diethyl 2-[2-(phenylmethoxycarbonylamino)ethyl]propanedioate
CID 10903835
benzyl N-[2-(butanoylamino)ethyl]carbamate
CID 130774623
benzyl N-[3-(2-methylphenyl)-3-oxopropyl]carbamate
CID 90322009
benzyl N-[3-[butyl(hydroxy)amino]-3-oxopropyl]carbamate
CID 87061313
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl N-(8-oxopentadecyl)carbamate
CID 123440218
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
1-O-ethyl 3-O-[2-methoxy-5-(phenylmethoxycarbonylamino)pentanoyl] propanedioate
CID 154125275

Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-5-(phenylmethoxycarbonylamino)pentanoate?
The IUPAC name of ethyl 3-oxo-5-(phenylmethoxycarbonylamino)pentanoate (CID 15195445) is ethyl 3-oxo-5-(phenylmethoxycarbonylamino)pentanoate.
What is the SMILES notation for ethyl 3-oxo-5-(phenylmethoxycarbonylamino)pentanoate?
The canonical SMILES for ethyl 3-oxo-5-(phenylmethoxycarbonylamino)pentanoate is CCOC(=O)CC(=O)CCNC(=O)OCc1ccccc1.
What is the InChIKey of ethyl 3-oxo-5-(phenylmethoxycarbonylamino)pentanoate?
The InChIKey is UBAFRLFIQRXDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-2-20-14(18)10-13(17)8-9-16-15(19)21-11-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,19).
What are the key properties of ethyl 3-oxo-5-(phenylmethoxycarbonylamino)pentanoate?
ethyl 3-oxo-5-(phenylmethoxycarbonylamino)pentanoate has a molecular weight of 293.32 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-5-(phenylmethoxycarbonylamino)pentanoate is sourced from PubChem (CID 15195445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).