methyl 2-(3-methylpentanoylamino)-2-phenylacetate

C15H21NO3 — CID 85168075

IUPACmethyl 2-(3-methylpentanoylamino)-2-phenylacetate
SMILESCCC(C)CC(=O)NC(C(=O)OC)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-4-11(2)10-13(17)16-14(15(18)19-3)12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3,(H,16,17)
InChIKeyCONRZGBCGYIPEM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.45
Rot. Bonds6

About methyl 2-(3-methylpentanoylamino)-2-phenylacetate

methyl 2-(3-methylpentanoylamino)-2-phenylacetate (PubChem CID 85168075) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-(3-methylpentanoylamino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(3-methylpentanoylamino)-2-phenylacetate
PubChem CID85168075
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-(3-methylpentanoylamino)-2-phenylacetate
SMILESCCC(C)CC(=O)NC(C(=O)OC)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-4-11(2)10-13(17)16-14(15(18)19-3)12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3,(H,16,17)
InChIKeyCONRZGBCGYIPEM-UHFFFAOYSA-N
XLogP2.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-[[(3R)-3,7-dimethyloct-6-enoyl]amino]-2-phenylacetate
CID 10781755
methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
CID 23654473
ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate
CID 62114406
methyl 2-(3-ethoxypropanoylamino)-2-phenylacetate
CID 55091693
methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate
CID 62111192
methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate
CID 62115268
methyl 2-(5-aminohexanoylamino)-2-phenylacetate
CID 82851192
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
3-[(2-methoxy-2-oxo-1-phenylethyl)amino]butanoic acid
CID 55036497
4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300204
methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate
CID 95288517
methyl 2-(2-aminopentanoylamino)-2-phenylacetate
CID 62111189

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methylpentanoylamino)-2-phenylacetate?
The IUPAC name of methyl 2-(3-methylpentanoylamino)-2-phenylacetate (CID 85168075) is methyl 2-(3-methylpentanoylamino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(3-methylpentanoylamino)-2-phenylacetate?
The canonical SMILES for methyl 2-(3-methylpentanoylamino)-2-phenylacetate is CCC(C)CC(=O)NC(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-(3-methylpentanoylamino)-2-phenylacetate?
The InChIKey is CONRZGBCGYIPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-11(2)10-13(17)16-14(15(18)19-3)12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-(3-methylpentanoylamino)-2-phenylacetate?
methyl 2-(3-methylpentanoylamino)-2-phenylacetate has a molecular weight of 263.34 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methylpentanoylamino)-2-phenylacetate is sourced from PubChem (CID 85168075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).