methyl 5-oxo-5-phenyl-4-(propan-2-ylamino)pentanoate

C15H21NO3 — CID 82347400

IUPACmethyl 5-oxo-5-phenyl-4-(propan-2-ylamino)pentanoate
SMILESCOC(=O)CCC(NC(C)C)C(=O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-11(2)16-13(9-10-14(17)19-3)15(18)12-7-5-4-6-8-12/h4-8,11,13,16H,9-10H2,1-3H3
InChIKeyRGGQFHXQZHFGGV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.19
Rot. Bonds7

About methyl 5-oxo-5-phenyl-4-(propan-2-ylamino)pentanoate

methyl 5-oxo-5-phenyl-4-(propan-2-ylamino)pentanoate (PubChem CID 82347400) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 5-oxo-5-phenyl-4-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Namemethyl 5-oxo-5-phenyl-4-(propan-2-ylamino)pentanoate
PubChem CID82347400
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 5-oxo-5-phenyl-4-(propan-2-ylamino)pentanoate
SMILESCOC(=O)CCC(NC(C)C)C(=O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-11(2)16-13(9-10-14(17)19-3)15(18)12-7-5-4-6-8-12/h4-8,11,13,16H,9-10H2,1-3H3
InChIKeyRGGQFHXQZHFGGV-UHFFFAOYSA-N
XLogP2.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(butylamino)-5-oxo-5-phenylpentanoate
CID 82347398
methyl 4-[2-(dimethylamino)ethylamino]-5-oxo-5-phenylpentanoate
CID 82347407
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
methyl 3-methyl-4-oxo-4-phenylbutanoate
CID 10774657
1-O-benzyl 5-O-methyl (2S)-2-aminopentanedioate
CID 56777388
5-methoxy-2-methyl-5-oxopentanoic acid
CID 13192897
methyl 3-benzoyl-4-oxo-4-phenylbutanoate
CID 10979354
2-hydroxy-1-phenyl-2-(propan-2-ylamino)ethanone
CID 69266981
methyl 5,5-diphenylpentanoate
CID 10923549
methyl 4-methylpentanoate;methyl 3-phenylpropanoate
CID 174923229
2-[[(2S)-2-amino-2-phenylacetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 104898298
dimethyl 2-[benzoyl-(2-methoxy-2-oxoethyl)amino]pentanedioate
CID 175101710

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-5-phenyl-4-(propan-2-ylamino)pentanoate?
The IUPAC name of methyl 5-oxo-5-phenyl-4-(propan-2-ylamino)pentanoate (CID 82347400) is methyl 5-oxo-5-phenyl-4-(propan-2-ylamino)pentanoate.
What is the SMILES notation for methyl 5-oxo-5-phenyl-4-(propan-2-ylamino)pentanoate?
The canonical SMILES for methyl 5-oxo-5-phenyl-4-(propan-2-ylamino)pentanoate is COC(=O)CCC(NC(C)C)C(=O)c1ccccc1.
What is the InChIKey of methyl 5-oxo-5-phenyl-4-(propan-2-ylamino)pentanoate?
The InChIKey is RGGQFHXQZHFGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(2)16-13(9-10-14(17)19-3)15(18)12-7-5-4-6-8-12/h4-8,11,13,16H,9-10H2,1-3H3.
What are the key properties of methyl 5-oxo-5-phenyl-4-(propan-2-ylamino)pentanoate?
methyl 5-oxo-5-phenyl-4-(propan-2-ylamino)pentanoate has a molecular weight of 263.34 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-5-phenyl-4-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 82347400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).