3-(cyclohexylmethylamino)-2-(methylamino)propanoic acid

C11H22N2O2 — CID 115256149

IUPAC3-(cyclohexylmethylamino)-2-(methylamino)propanoic acid
SMILESCNC(CNCC1CCCCC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-12-10(11(14)15)8-13-7-9-5-3-2-4-6-9/h9-10,12-13H,2-8H2,1H3,(H,14,15)
InChIKeyJAYVNHYZJRUJQT-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.83
Rot. Bonds6

About 3-(cyclohexylmethylamino)-2-(methylamino)propanoic acid

3-(cyclohexylmethylamino)-2-(methylamino)propanoic acid (PubChem CID 115256149) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(cyclohexylmethylamino)-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-(cyclohexylmethylamino)-2-(methylamino)propanoic acid
PubChem CID115256149
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-(cyclohexylmethylamino)-2-(methylamino)propanoic acid
SMILESCNC(CNCC1CCCCC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-12-10(11(14)15)8-13-7-9-5-3-2-4-6-9/h9-10,12-13H,2-8H2,1H3,(H,14,15)
InChIKeyJAYVNHYZJRUJQT-UHFFFAOYSA-N
XLogP0.83
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
CID 115256154
methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate
CID 129354214
(2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid
CID 177277401
2-[(2-cycloheptylacetyl)amino]butanoic acid
CID 115909894
3-(cyclohexylmethylamino)-2-(methylamino)-3-oxopropanoic acid
CID 115189452
4-(cyclohexylmethylamino)-3-hydroxybutanoic acid
CID 103237864
4-(cyclopentylmethylamino)-2-methylbutanoic acid
CID 115220780
(2S)-2-[(2-cyclohexylacetyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63307198
2-(cyclopentylmethylamino)-3-methoxypropanoic acid
CID 103237734
3-(cycloheptylmethylamino)-2-hydroxypropanamide
CID 106170462
2-cyclohexyl-N-[2-(methylamino)propyl]acetamide
CID 103512587
2-chloro-N-(cyclopentylmethyl)propan-1-amine
CID 65024059

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylamino)-2-(methylamino)propanoic acid?
The IUPAC name of 3-(cyclohexylmethylamino)-2-(methylamino)propanoic acid (CID 115256149) is 3-(cyclohexylmethylamino)-2-(methylamino)propanoic acid.
What is the SMILES notation for 3-(cyclohexylmethylamino)-2-(methylamino)propanoic acid?
The canonical SMILES for 3-(cyclohexylmethylamino)-2-(methylamino)propanoic acid is CNC(CNCC1CCCCC1)C(=O)O.
What is the InChIKey of 3-(cyclohexylmethylamino)-2-(methylamino)propanoic acid?
The InChIKey is JAYVNHYZJRUJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-12-10(11(14)15)8-13-7-9-5-3-2-4-6-9/h9-10,12-13H,2-8H2,1H3,(H,14,15).
What are the key properties of 3-(cyclohexylmethylamino)-2-(methylamino)propanoic acid?
3-(cyclohexylmethylamino)-2-(methylamino)propanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylamino)-2-(methylamino)propanoic acid is sourced from PubChem (CID 115256149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).