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

C15H20N2O4 — CID 107827485

IUPAC(2R)-4-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid
SMILESO=C(NC1CCc2ccccc2C1)N[C@H](CCO)C(=O)O
InChIInChI=1S/C15H20N2O4/c18-8-7-13(14(19)20)17-15(21)16-12-6-5-10-3-1-2-4-11(10)9-12/h1-4,12-13,18H,5-9H2,(H,19,20)(H2,16,17,21)/t12?,13-/m1/s1
InChIKeyVAOMYRBFUUBSRD-ZGTCLIOFSA-N
MW292.34 g/mol
LogP0.68
Rot. Bonds5

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

(2R)-4-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid (PubChem CID 107827485) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid
PubChem CID107827485
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name(2R)-4-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid
SMILESO=C(NC1CCc2ccccc2C1)N[C@H](CCO)C(=O)O
InChIInChI=1S/C15H20N2O4/c18-8-7-13(14(19)20)17-15(21)16-12-6-5-10-3-1-2-4-11(10)9-12/h1-4,12-13,18H,5-9H2,(H,19,20)(H2,16,17,21)/t12?,13-/m1/s1
InChIKeyVAOMYRBFUUBSRD-ZGTCLIOFSA-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

2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)pent-4-ynoic acid
CID 107843037
2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid
CID 107839632
(2S)-2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-4-methylpentanoic acid
CID 107842992
(2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid
CID 166506978
(2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid
CID 107829012
(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid
CID 114005381
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 79202769
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
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
(2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid
CID 104983243
(2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 107826156

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid (CID 107827485) is (2R)-4-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid is O=C(NC1CCc2ccccc2C1)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid?
The InChIKey is VAOMYRBFUUBSRD-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-8-7-13(14(19)20)17-15(21)16-12-6-5-10-3-1-2-4-11(10)9-12/h1-4,12-13,18H,5-9H2,(H,19,20)(H2,16,17,21)/t12?,13-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid?
(2R)-4-hydroxy-2-(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 (2R)-4-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 107827485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).