2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid

C11H21NO3 — CID 65116400

IUPAC2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid
SMILESCC1CCC(O)(CNC(C)C(=O)O)CC1
InChIInChI=1S/C11H21NO3/c1-8-3-5-11(15,6-4-8)7-12-9(2)10(13)14/h8-9,12,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyJODDULQKOWIVTL-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.99
Rot. Bonds4

About 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid

2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid (PubChem CID 65116400) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid
PubChem CID65116400
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid
SMILESCC1CCC(O)(CNC(C)C(=O)O)CC1
InChIInChI=1S/C11H21NO3/c1-8-3-5-11(15,6-4-8)7-12-9(2)10(13)14/h8-9,12,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyJODDULQKOWIVTL-UHFFFAOYSA-N
XLogP0.99
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-hydroxycyclopentyl)methylamino]propanoic acid
CID 65108936
N-tert-butyl-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanamide
CID 65116446
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanenitrile
CID 65116354
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanoic acid
CID 62552009
(1-hydroxy-4-methylcyclohexyl)methylurea
CID 65121718
1-[(1-cyclobutylpropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 113489875
3-methyl-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 64515514
ethyl 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]pentanoate
CID 83041957
3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide
CID 65116289
1-[(heptan-2-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115663
4-[[[1-(diethylamino)-1-oxopropan-2-yl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499719
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
CID 65120168

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid?
The IUPAC name of 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid (CID 65116400) is 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid.
What is the SMILES notation for 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid?
The canonical SMILES for 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid is CC1CCC(O)(CNC(C)C(=O)O)CC1.
What is the InChIKey of 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid?
The InChIKey is JODDULQKOWIVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8-3-5-11(15,6-4-8)7-12-9(2)10(13)14/h8-9,12,15H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid?
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid has a molecular weight of 215.29 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid is sourced from PubChem (CID 65116400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).