methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate

C14H19NO4 — CID 146266901

IUPACmethyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate
SMILESCOCCC(=O)N[C@@H](Cc1ccccc1)C(=O)OC
InChIInChI=1S/C14H19NO4/c1-18-9-8-13(16)15-12(14(17)19-2)10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyLPVYYZNWHYNXAU-LBPRGKRZSA-N
MW265.31 g/mol
LogP0.92
Rot. Bonds7

About methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate

methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate (PubChem CID 146266901) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate
PubChem CID146266901
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate
SMILESCOCCC(=O)N[C@@H](Cc1ccccc1)C(=O)OC
InChIInChI=1S/C14H19NO4/c1-18-9-8-13(16)15-12(14(17)19-2)10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyLPVYYZNWHYNXAU-LBPRGKRZSA-N
XLogP0.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate
CID 170714633
6-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-6-oxohexanoic acid
CID 163407486
methyl 2-(5-hydroxypentanoylamino)-3-phenylpropanoate
CID 79198729
methyl 3-phenyl-2-(tetradecanoylamino)propanoate
CID 54789812
methyl (2S)-2-(pent-4-ynoylamino)-3-phenylpropanoate
CID 101205649
methyl 2-(octanoylamino)-3-phenylpropanoate
CID 531518
methyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate
CID 170714052
methyl (2S)-2-[3-[bis(2-hydroxyethyl)amino]propanoylamino]-3-phenylpropanoate
CID 102262378
methyl (2S)-2-[[4-(butylamino)-4-oxobutanoyl]amino]-3-phenylpropanoate
CID 7326220
(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamothioic S-acid
CID 89345339
3-amino-5-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid
CID 6850716
methyl (2S)-2-[[2-(3H-diazirin-3-yl)acetyl]amino]-3-phenylpropanoate
CID 146167000

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate (CID 146266901) is methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate is COCCC(=O)N[C@@H](Cc1ccccc1)C(=O)OC.
What is the InChIKey of methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate?
The InChIKey is LPVYYZNWHYNXAU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-9-8-13(16)15-12(14(17)19-2)10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,15,16)/t12-/m0/s1.
What are the key properties of methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate?
methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate has a molecular weight of 265.31 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate is sourced from PubChem (CID 146266901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).