3-[cyclododecyl(methyl)amino]propanoic acid

C16H31NO2 — CID 65063573

IUPAC3-[cyclododecyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C1CCCCCCCCCCC1
InChIInChI=1S/C16H31NO2/c1-17(14-13-16(18)19)15-11-9-7-5-3-2-4-6-8-10-12-15/h15H,2-14H2,1H3,(H,18,19)
InChIKeyQTCZEBDRVJOAGL-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.07
Rot. Bonds4

About 3-[cyclododecyl(methyl)amino]propanoic acid

3-[cyclododecyl(methyl)amino]propanoic acid (PubChem CID 65063573) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-[cyclododecyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclododecyl(methyl)amino]propanoic acid
PubChem CID65063573
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name3-[cyclododecyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C1CCCCCCCCCCC1
InChIInChI=1S/C16H31NO2/c1-17(14-13-16(18)19)15-11-9-7-5-3-2-4-6-8-10-12-15/h15H,2-14H2,1H3,(H,18,19)
InChIKeyQTCZEBDRVJOAGL-UHFFFAOYSA-N
XLogP4.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid
CID 63317939
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
3-[(1-tert-butylpiperidin-3-yl)-methylamino]propanoic acid
CID 117005069
1-[cyclopentyl(methyl)amino]-4,4-dimethylpentan-3-one
CID 62622965
3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
CID 62230930
N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid
CID 70625667
4-[cyclohexyl(methyl)amino]butanehydrazide
CID 63568701
4-[cycloheptyl(methyl)amino]butanehydrazide
CID 63571638
3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330378
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid
CID 39258593
3-[cyclohexyl(2-oxopropyl)amino]propanoic acid
CID 82329101
3-[methyl(pyrrolidin-3-yl)amino]propanoic acid
CID 63301426

Frequently Asked Questions

What is the IUPAC name of 3-[cyclododecyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[cyclododecyl(methyl)amino]propanoic acid (CID 65063573) is 3-[cyclododecyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclododecyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclododecyl(methyl)amino]propanoic acid is CN(CCC(=O)O)C1CCCCCCCCCCC1.
What is the InChIKey of 3-[cyclododecyl(methyl)amino]propanoic acid?
The InChIKey is QTCZEBDRVJOAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-17(14-13-16(18)19)15-11-9-7-5-3-2-4-6-8-10-12-15/h15H,2-14H2,1H3,(H,18,19).
What are the key properties of 3-[cyclododecyl(methyl)amino]propanoic acid?
3-[cyclododecyl(methyl)amino]propanoic acid has a molecular weight of 269.43 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclododecyl(methyl)amino]propanoic acid is sourced from PubChem (CID 65063573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).