2-[methyl(spiro[4.5]decan-8-yl)amino]propanoic acid

C14H25NO2 — CID 114820671

IUPAC2-[methyl(spiro[4.5]decan-8-yl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C1CCC2(CCCC2)CC1
InChIInChI=1S/C14H25NO2/c1-11(13(16)17)15(2)12-5-9-14(10-6-12)7-3-4-8-14/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyHBHAMIWDSRGXLH-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.89
Rot. Bonds3

About 2-[methyl(spiro[4.5]decan-8-yl)amino]propanoic acid

2-[methyl(spiro[4.5]decan-8-yl)amino]propanoic acid (PubChem CID 114820671) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[methyl(spiro[4.5]decan-8-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(spiro[4.5]decan-8-yl)amino]propanoic acid
PubChem CID114820671
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[methyl(spiro[4.5]decan-8-yl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C1CCC2(CCCC2)CC1
InChIInChI=1S/C14H25NO2/c1-11(13(16)17)15(2)12-5-9-14(10-6-12)7-3-4-8-14/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyHBHAMIWDSRGXLH-UHFFFAOYSA-N
XLogP2.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[cyclopentyl(methyl)amino]propanoic acid;hydrochloride
CID 69352302
2-[cyclohexyl(methyl)amino]propanoic acid
CID 22906743
2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid
CID 83265684
2-[(1,1-dioxothiolan-3-yl)-methylamino]propanoic acid
CID 20985922
(2S)-2-[cyclohexyl(deuteriomethyl)amino]propanoic acid
CID 139977637
2-(spiro[4.5]decan-8-ylamino)propanoic acid
CID 114817551
2-methyl-3-[methyl(spiro[5.5]undecan-3-ylcarbamoyl)amino]propanoic acid
CID 122011341
2-(4-spiro[4.5]decan-8-ylpiperazin-1-yl)propanoic acid
CID 114820667
2-[methyl(spiro[4.5]decan-8-yl)amino]-1-piperazin-1-ylethanone
CID 114818797
2-[methyl(spiro[2.4]heptane-2-carbonyl)amino]propanoic acid
CID 119209159
1-spiro[4.5]decan-8-ylpropan-1-one
CID 114820945
2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]propanoic acid
CID 104967956

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(spiro[4.5]decan-8-yl)amino]propanoic acid?
The IUPAC name of 2-[methyl(spiro[4.5]decan-8-yl)amino]propanoic acid (CID 114820671) is 2-[methyl(spiro[4.5]decan-8-yl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(spiro[4.5]decan-8-yl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(spiro[4.5]decan-8-yl)amino]propanoic acid is CC(C(=O)O)N(C)C1CCC2(CCCC2)CC1.
What is the InChIKey of 2-[methyl(spiro[4.5]decan-8-yl)amino]propanoic acid?
The InChIKey is HBHAMIWDSRGXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(13(16)17)15(2)12-5-9-14(10-6-12)7-3-4-8-14/h11-12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[methyl(spiro[4.5]decan-8-yl)amino]propanoic acid?
2-[methyl(spiro[4.5]decan-8-yl)amino]propanoic acid has a molecular weight of 239.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(spiro[4.5]decan-8-yl)amino]propanoic acid is sourced from PubChem (CID 114820671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).