methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate

C15H21NO4 — CID 23559272

IUPACmethyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate
SMILESCOC(=O)C(COCc1ccccc1)NC(=O)C(C)C
InChIInChI=1S/C15H21NO4/c1-11(2)14(17)16-13(15(18)19-3)10-20-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,17)
InChIKeyJNBBBEBMXKTSMC-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.52
Rot. Bonds7

About methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate

methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate (PubChem CID 23559272) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate.

Molecular Properties

Compound Namemethyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate
PubChem CID23559272
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate
SMILESCOC(=O)C(COCc1ccccc1)NC(=O)C(C)C
InChIInChI=1S/C15H21NO4/c1-11(2)14(17)16-13(15(18)19-3)10-20-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,17)
InChIKeyJNBBBEBMXKTSMC-UHFFFAOYSA-N
XLogP1.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(methylamino)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 171594170
methyl (2S)-2-benzamido-3-phenylmethoxypropanoate
CID 10870709
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylmethoxypropanoic acid
CID 71421898
methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate
CID 11459047
(2S)-2-(2-bromopropanoylamino)-3-phenylmethoxypropanoic acid
CID 141127685
methyl (2S)-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylmethoxypropanoate
CID 131739575
methyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]amino]-3-phenylpropanoate
CID 10695122
methyl (2S)-2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylmethoxypropanoate
CID 59709908
(3S)-3-amino-4-oxo-4-[[(2S)-1-oxo-1,3-bis(phenylmethoxy)propan-2-yl]amino]butanoic acid
CID 15922425
methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 44630138
methyl (2R)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 119088438
(2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride
CID 119335271

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate?
The IUPAC name of methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate (CID 23559272) is methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate.
What is the SMILES notation for methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate?
The canonical SMILES for methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate is COC(=O)C(COCc1ccccc1)NC(=O)C(C)C.
What is the InChIKey of methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate?
The InChIKey is JNBBBEBMXKTSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11(2)14(17)16-13(15(18)19-3)10-20-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate?
methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate has a molecular weight of 279.34 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate is sourced from PubChem (CID 23559272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).