4-methyl-2-[(spiro[2.5]octan-6-ylamino)methyl]pentanoic acid

C15H27NO2 — CID 122128027

IUPAC4-methyl-2-[(spiro[2.5]octan-6-ylamino)methyl]pentanoic acid
SMILESCC(C)CC(CNC1CCC2(CC1)CC2)C(=O)O
InChIInChI=1S/C15H27NO2/c1-11(2)9-12(14(17)18)10-16-13-3-5-15(6-4-13)7-8-15/h11-13,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyYPIAIOBIAHQPDS-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.05
Rot. Bonds6

About 4-methyl-2-[(spiro[2.5]octan-6-ylamino)methyl]pentanoic acid

4-methyl-2-[(spiro[2.5]octan-6-ylamino)methyl]pentanoic acid (PubChem CID 122128027) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-methyl-2-[(spiro[2.5]octan-6-ylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(spiro[2.5]octan-6-ylamino)methyl]pentanoic acid
PubChem CID122128027
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name4-methyl-2-[(spiro[2.5]octan-6-ylamino)methyl]pentanoic acid
SMILESCC(C)CC(CNC1CCC2(CC1)CC2)C(=O)O
InChIInChI=1S/C15H27NO2/c1-11(2)9-12(14(17)18)10-16-13-3-5-15(6-4-13)7-8-15/h11-13,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyYPIAIOBIAHQPDS-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]pentanoic acid
CID 122127731
4-methyl-2-[(oxan-3-ylamino)methyl]pentanoic acid
CID 122127774
2-[[(2-cyclopropylcyclopentyl)amino]methyl]-4-methylpentanoic acid
CID 122127965
4-methyl-2-[[(3,3,5-trimethylcyclohexyl)amino]methyl]pentanoic acid
CID 122127730
2-[[[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]amino]methyl]-4-methylpentanoic acid
CID 122127968
4-methyl-2-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pentanoic acid
CID 122127811
2-[[[1-(4-methoxy-4-oxobutyl)piperidin-4-yl]amino]methyl]-4-methylpentanoic acid
CID 122127900
2-[(cyclopentylamino)methyl]pentanoic acid
CID 82933542
2-[[[3-(2-methoxy-2-oxoethyl)-2-methylcyclopentyl]amino]methyl]-4-methylpentanoic acid
CID 122128043
2-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid
CID 103925732
alumane;4-methyl-2-(2-methylpropyl)pentanoic acid
CID 173457515
2-[(adamantane-1-carbonylamino)methyl]-4-methylpentanoic acid
CID 119252787

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(spiro[2.5]octan-6-ylamino)methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[(spiro[2.5]octan-6-ylamino)methyl]pentanoic acid (CID 122128027) is 4-methyl-2-[(spiro[2.5]octan-6-ylamino)methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(spiro[2.5]octan-6-ylamino)methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(spiro[2.5]octan-6-ylamino)methyl]pentanoic acid is CC(C)CC(CNC1CCC2(CC1)CC2)C(=O)O.
What is the InChIKey of 4-methyl-2-[(spiro[2.5]octan-6-ylamino)methyl]pentanoic acid?
The InChIKey is YPIAIOBIAHQPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11(2)9-12(14(17)18)10-16-13-3-5-15(6-4-13)7-8-15/h11-13,16H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-2-[(spiro[2.5]octan-6-ylamino)methyl]pentanoic acid?
4-methyl-2-[(spiro[2.5]octan-6-ylamino)methyl]pentanoic acid has a molecular weight of 253.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(spiro[2.5]octan-6-ylamino)methyl]pentanoic acid is sourced from PubChem (CID 122128027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).