4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid

C17H24N2O3 — CID 122094608

IUPAC4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H24N2O3/c1-17(2,10-9-15(20)21)19-16(22)18-14-8-7-12-5-3-4-6-13(12)11-14/h7-8,11H,3-6,9-10H2,1-2H3,(H,20,21)(H2,18,19,22)
InChIKeyMTLDCJGRPFXVQR-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.33
Rot. Bonds5

About 4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid

4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid (PubChem CID 122094608) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid
PubChem CID122094608
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H24N2O3/c1-17(2,10-9-15(20)21)19-16(22)18-14-8-7-12-5-3-4-6-13(12)11-14/h7-8,11H,3-6,9-10H2,1-2H3,(H,20,21)(H2,18,19,22)
InChIKeyMTLDCJGRPFXVQR-UHFFFAOYSA-N
XLogP3.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-4-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)carbamoylamino]pentanoic acid
CID 122086252
4-methyl-4-[(1-methyl-2-oxo-3H-indol-5-yl)carbamoylamino]pentanoic acid
CID 122092019
4-methyl-4-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylcarbamoylamino)pentanoic acid
CID 122074288
4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122076240
4-[[3-(cyclohexanecarbonylamino)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086280
4-methyl-4-[[3-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]pentanoic acid
CID 122092164
4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid
CID 62050370
4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043312
4-amino-4-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanamide
CID 115157489
4-[(4-cyanophenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043313
4-[[4-(3-methoxy-3-oxopropyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122079578
1-(2,3-dihydro-1H-inden-5-yl)-3-[2-[3-[2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]urea
CID 27060599

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid?
The IUPAC name of 4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid (CID 122094608) is 4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid is CC(C)(CCC(=O)O)NC(=O)Nc1ccc2c(c1)CCCC2.
What is the InChIKey of 4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid?
The InChIKey is MTLDCJGRPFXVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,10-9-15(20)21)19-16(22)18-14-8-7-12-5-3-4-6-13(12)11-14/h7-8,11H,3-6,9-10H2,1-2H3,(H,20,21)(H2,18,19,22).
What are the key properties of 4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid?
4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid has a molecular weight of 304.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 122094608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).