(2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid

C15H20N2O4 — CID 107837911

IUPAC(2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
SMILESO=C(NCC[C@H](O)C(=O)O)Nc1cccc2c1CCCC2
InChIInChI=1S/C15H20N2O4/c18-13(14(19)20)8-9-16-15(21)17-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7,13,18H,1-2,4,6,8-9H2,(H,19,20)(H2,16,17,21)/t13-/m0/s1
InChIKeyQQAKXUWMBRBFGW-ZDUSSCGKSA-N
MW292.33 g/mol
LogP1.52
Rot. Bonds5

About (2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid

(2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid (PubChem CID 107837911) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
PubChem CID107837911
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
SMILESO=C(NCC[C@H](O)C(=O)O)Nc1cccc2c1CCCC2
InChIInChI=1S/C15H20N2O4/c18-13(14(19)20)8-9-16-15(21)17-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7,13,18H,1-2,4,6,8-9H2,(H,19,20)(H2,16,17,21)/t13-/m0/s1
InChIKeyQQAKXUWMBRBFGW-ZDUSSCGKSA-N
XLogP1.52
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid
CID 107835055
(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 54991255
(2S)-4-[(2-chlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 114006714
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 50744738
(2S)-2-hydroxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 107835137
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 61180890
4-[(2-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107840119
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 43834022
3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)butanoic acid
CID 116536577
1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47032264
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43538421
2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18070040

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid (CID 107837911) is (2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid is O=C(NCC[C@H](O)C(=O)O)Nc1cccc2c1CCCC2.
What is the InChIKey of (2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid?
The InChIKey is QQAKXUWMBRBFGW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-13(14(19)20)8-9-16-15(21)17-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7,13,18H,1-2,4,6,8-9H2,(H,19,20)(H2,16,17,21)/t13-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid?
(2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 107837911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).