methyl 3-(methoxycarbonylamino)-4-methyl-2-phenylpentanoate

C15H21NO4 — CID 13248569

IUPACmethyl 3-(methoxycarbonylamino)-4-methyl-2-phenylpentanoate
SMILESCOC(=O)NC(C(C)C)C(C(=O)OC)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-10(2)13(16-15(18)20-4)12(14(17)19-3)11-8-6-5-7-9-11/h5-10,12-13H,1-4H3,(H,16,18)
InChIKeyCEJNUALCDRMGBR-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.32
Rot. Bonds5

About methyl 3-(methoxycarbonylamino)-4-methyl-2-phenylpentanoate

methyl 3-(methoxycarbonylamino)-4-methyl-2-phenylpentanoate (PubChem CID 13248569) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 3-(methoxycarbonylamino)-4-methyl-2-phenylpentanoate.

Molecular Properties

Compound Namemethyl 3-(methoxycarbonylamino)-4-methyl-2-phenylpentanoate
PubChem CID13248569
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 3-(methoxycarbonylamino)-4-methyl-2-phenylpentanoate
SMILESCOC(=O)NC(C(C)C)C(C(=O)OC)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-10(2)13(16-15(18)20-4)12(14(17)19-3)11-8-6-5-7-9-11/h5-10,12-13H,1-4H3,(H,16,18)
InChIKeyCEJNUALCDRMGBR-UHFFFAOYSA-N
XLogP2.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,3R)-3-(methoxycarbonylamino)-2-methyl-3-phenylpropanoate
CID 14027268
methyl 3-methyl-2-(4-phenylphenyl)butanoate
CID 65454371
methyl 3-methyl-4-oxo-2-phenylpentanoate
CID 101419627
tert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate
CID 102537977
methyl 3-iodo-2,3-diphenylpropanoate
CID 10451510
methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate
CID 72723306
tert-butyl N-[(1R,2R)-1-hydroxy-3-methyl-1-phenylbutan-2-yl]carbamate
CID 102037533
dimethyl 2-acetyl-3-phenylbutanedioate
CID 67244265
(3-methyl-2-phenylbutanoyl) 3-methyl-2-phenylbutaneperoxoate
CID 18381033
ethyl 3-(methoxycarbonylamino)-2,3-diphenylpropanoate
CID 102337853
methanol;methyl N-[(1S)-2-oxo-1-phenylethyl]carbamate
CID 144634454
methyl (2R,3S)-3-(methoxycarbonylamino)-4-methyl-2-propan-2-ylpentanoate
CID 10634108

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methoxycarbonylamino)-4-methyl-2-phenylpentanoate?
The IUPAC name of methyl 3-(methoxycarbonylamino)-4-methyl-2-phenylpentanoate (CID 13248569) is methyl 3-(methoxycarbonylamino)-4-methyl-2-phenylpentanoate.
What is the SMILES notation for methyl 3-(methoxycarbonylamino)-4-methyl-2-phenylpentanoate?
The canonical SMILES for methyl 3-(methoxycarbonylamino)-4-methyl-2-phenylpentanoate is COC(=O)NC(C(C)C)C(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 3-(methoxycarbonylamino)-4-methyl-2-phenylpentanoate?
The InChIKey is CEJNUALCDRMGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(2)13(16-15(18)20-4)12(14(17)19-3)11-8-6-5-7-9-11/h5-10,12-13H,1-4H3,(H,16,18).
What are the key properties of methyl 3-(methoxycarbonylamino)-4-methyl-2-phenylpentanoate?
methyl 3-(methoxycarbonylamino)-4-methyl-2-phenylpentanoate has a molecular weight of 279.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methoxycarbonylamino)-4-methyl-2-phenylpentanoate is sourced from PubChem (CID 13248569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).