4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid

C17H24N2O4 — CID 122022296

IUPAC4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N(CCO)C1CCCc2ccccc21
InChIInChI=1S/C17H24N2O4/c20-12-11-19(17(23)18-10-4-9-16(21)22)15-8-3-6-13-5-1-2-7-14(13)15/h1-2,5,7,15,20H,3-4,6,8-12H2,(H,18,23)(H,21,22)
InChIKeyAXOIJHKAWGPRDF-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.93
Rot. Bonds7

About 4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid

4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid (PubChem CID 122022296) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid
PubChem CID122022296
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N(CCO)C1CCCc2ccccc21
InChIInChI=1S/C17H24N2O4/c20-12-11-19(17(23)18-10-4-9-16(21)22)15-8-3-6-13-5-1-2-7-14(13)15/h1-2,5,7,15,20H,3-4,6,8-12H2,(H,18,23)(H,21,22)
InChIKeyAXOIJHKAWGPRDF-UHFFFAOYSA-N
XLogP1.93
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111383072
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-(2-phenylethyl)urea
CID 111383096
1-(2-hydroxyethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(thiophen-3-ylmethyl)urea
CID 97083678
1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793383
3-(dicyclopropylmethyl)-1-(2-hydroxyethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793689
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 111794595
4-[[[3-hydroxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]methyl]benzoic acid
CID 122020246
1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 71857909
1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 96536191
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 102865736
1-(2-hydroxyethyl)-3-[(5-methylthiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793736
1-(2-hydroxyethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111794044

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid?
The IUPAC name of 4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid (CID 122022296) is 4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid is O=C(O)CCCNC(=O)N(CCO)C1CCCc2ccccc21.
What is the InChIKey of 4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid?
The InChIKey is AXOIJHKAWGPRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c20-12-11-19(17(23)18-10-4-9-16(21)22)15-8-3-6-13-5-1-2-7-14(13)15/h1-2,5,7,15,20H,3-4,6,8-12H2,(H,18,23)(H,21,22).
What are the key properties of 4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid?
4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid has a molecular weight of 320.39 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 122022296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).