2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid

C15H20N2O4 — CID 107839632

IUPAC2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid
SMILESO=C(NCCC(O)C(=O)O)NC1CCc2ccccc2C1
InChIInChI=1S/C15H20N2O4/c18-13(14(19)20)7-8-16-15(21)17-12-6-5-10-3-1-2-4-11(10)9-12/h1-4,12-13,18H,5-9H2,(H,19,20)(H2,16,17,21)
InChIKeyVUFVGTKNYDMEQN-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.68
Rot. Bonds5

About 2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid

2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid (PubChem CID 107839632) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid
PubChem CID107839632
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid
SMILESO=C(NCCC(O)C(=O)O)NC1CCc2ccccc2C1
InChIInChI=1S/C15H20N2O4/c18-13(14(19)20)7-8-16-15(21)17-12-6-5-10-3-1-2-4-11(10)9-12/h1-4,12-13,18H,5-9H2,(H,19,20)(H2,16,17,21)
InChIKeyVUFVGTKNYDMEQN-UHFFFAOYSA-N
XLogP0.68
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid
CID 166506978
(2R)-4-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid
CID 107827485
(2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid
CID 107834568
4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid
CID 107832373
3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid
CID 114007977
1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 115573941
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 11775776
(2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 114007572
2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 114007571
(2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 107838707
2-hydroxy-4-[(4-methylcyclohexyl)carbamoylamino]butanoic acid
CID 107838097
3-[2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]ethyl]benzamide
CID 95303687

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid?
The IUPAC name of 2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid (CID 107839632) is 2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid is O=C(NCCC(O)C(=O)O)NC1CCc2ccccc2C1.
What is the InChIKey of 2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid?
The InChIKey is VUFVGTKNYDMEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-13(14(19)20)7-8-16-15(21)17-12-6-5-10-3-1-2-4-11(10)9-12/h1-4,12-13,18H,5-9H2,(H,19,20)(H2,16,17,21).
What are the key properties of 2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid?
2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid has a molecular weight of 292.34 g/mol, XLogP of 0.68, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 107839632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).