2-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid

C15H20N2O4 — CID 106110085

IUPAC2-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
SMILESCOC(CNC(=O)NC1CCCc2ccccc21)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-21-13(14(18)19)9-16-15(20)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12-13H,4,6,8-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyAXLAKAZJNUYKJU-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.46
Rot. Bonds5

About 2-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid

2-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid (PubChem CID 106110085) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
PubChem CID106110085
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
SMILESCOC(CNC(=O)NC1CCCc2ccccc21)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-21-13(14(18)19)9-16-15(20)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12-13H,4,6,8-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyAXLAKAZJNUYKJU-UHFFFAOYSA-N
XLogP1.46
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 80541261
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 78988055
1-[2-(2-methoxyphenyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 46486313
methyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate
CID 157035640
(2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid
CID 70945803
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111337898
1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 17448529
1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 42954663
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426668
1-[2-(propan-2-ylsulfamoyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 122160044
1-[(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451567

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid?
The IUPAC name of 2-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid (CID 106110085) is 2-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid is COC(CNC(=O)NC1CCCc2ccccc21)C(=O)O.
What is the InChIKey of 2-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid?
The InChIKey is AXLAKAZJNUYKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-13(14(18)19)9-16-15(20)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12-13H,4,6,8-9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid?
2-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 106110085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).