methyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate

C18H21NO4 — CID 170714861

IUPACmethyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)CCCO
InChIInChI=1S/C18H21NO4/c1-23-18(22)16(19-17(21)7-4-10-20)12-13-8-9-14-5-2-3-6-15(14)11-13/h2-3,5-6,8-9,11,16,20H,4,7,10,12H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyWXALVEFCMOSVFE-MRXNPFEDSA-N
MW315.37 g/mol
LogP1.81
Rot. Bonds7

About methyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate

methyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate (PubChem CID 170714861) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate
PubChem CID170714861
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Namemethyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)CCCO
InChIInChI=1S/C18H21NO4/c1-23-18(22)16(19-17(21)7-4-10-20)12-13-8-9-14-5-2-3-6-15(14)11-13/h2-3,5-6,8-9,11,16,20H,4,7,10,12H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyWXALVEFCMOSVFE-MRXNPFEDSA-N
XLogP1.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate
CID 170714633
methyl 2-(5-hydroxypentanoylamino)-3-phenylpropanoate
CID 79198729
methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
CID 126517010
methyl 3-naphthalen-2-yl-2-(3-naphthalen-2-ylprop-2-ynoylamino)propanoate
CID 102461690
3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid
CID 139753327
6-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-6-oxohexanoic acid
CID 163407486
methyl (2R)-3-(4-hydroxyphenyl)-2-[[(2R)-2-[[(2R)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]propanoate
CID 132525825
methyl (2R)-2-[(4-benzoylphenyl)carbamoylamino]-3-naphthalen-2-ylpropanoate
CID 149490898
methyl 3-phenyl-2-(tetradecanoylamino)propanoate
CID 54789812
methyl 2-(octanoylamino)-3-phenylpropanoate
CID 531518
butyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate
CID 102138109
methyl (2S)-2-[3-[bis(2-hydroxyethyl)amino]propanoylamino]-3-phenylpropanoate
CID 102262378

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate?
The IUPAC name of methyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate (CID 170714861) is methyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate.
What is the SMILES notation for methyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate?
The canonical SMILES for methyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate is COC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)CCCO.
What is the InChIKey of methyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate?
The InChIKey is WXALVEFCMOSVFE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21NO4/c1-23-18(22)16(19-17(21)7-4-10-20)12-13-8-9-14-5-2-3-6-15(14)11-13/h2-3,5-6,8-9,11,16,20H,4,7,10,12H2,1H3,(H,19,21)/t16-/m1/s1.
What are the key properties of methyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate?
methyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate has a molecular weight of 315.37 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 170714861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).