3-[(2-hydroxycyclohexyl)methylamino]butanoic acid

C11H21NO3 — CID 64911182

IUPAC3-[(2-hydroxycyclohexyl)methylamino]butanoic acid
SMILESCC(CC(=O)O)NCC1CCCCC1O
InChIInChI=1S/C11H21NO3/c1-8(6-11(14)15)12-7-9-4-2-3-5-10(9)13/h8-10,12-13H,2-7H2,1H3,(H,14,15)
InChIKeyGNRGZUXBWGJOGJ-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.99
Rot. Bonds5

About 3-[(2-hydroxycyclohexyl)methylamino]butanoic acid

3-[(2-hydroxycyclohexyl)methylamino]butanoic acid (PubChem CID 64911182) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[(2-hydroxycyclohexyl)methylamino]butanoic acid.

Molecular Properties

Compound Name3-[(2-hydroxycyclohexyl)methylamino]butanoic acid
PubChem CID64911182
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[(2-hydroxycyclohexyl)methylamino]butanoic acid
SMILESCC(CC(=O)O)NCC1CCCCC1O
InChIInChI=1S/C11H21NO3/c1-8(6-11(14)15)12-7-9-4-2-3-5-10(9)13/h8-10,12-13H,2-7H2,1H3,(H,14,15)
InChIKeyGNRGZUXBWGJOGJ-UHFFFAOYSA-N
XLogP0.99
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

3-(cyclopentylmethylamino)butanoic acid
CID 43536958
2-[(pentan-2-ylamino)methyl]cyclohexan-1-ol
CID 64927417
2-[(2-hydroxycyclohexyl)methylamino]-N-propan-2-ylacetamide
CID 64911813
2-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 13133892
N-cyclopropyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
CID 64913669
(2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide
CID 97046649
2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid
CID 83040701
2-[(2,6-dimethylheptan-4-ylamino)methyl]cyclohexan-1-ol
CID 64927236
2-[(2-hydroxycyclohexyl)methylamino]-3-methoxypropanoic acid
CID 103254110
(2R)-2-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 79001441
2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 64929109
N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
CID 64913889

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxycyclohexyl)methylamino]butanoic acid?
The IUPAC name of 3-[(2-hydroxycyclohexyl)methylamino]butanoic acid (CID 64911182) is 3-[(2-hydroxycyclohexyl)methylamino]butanoic acid.
What is the SMILES notation for 3-[(2-hydroxycyclohexyl)methylamino]butanoic acid?
The canonical SMILES for 3-[(2-hydroxycyclohexyl)methylamino]butanoic acid is CC(CC(=O)O)NCC1CCCCC1O.
What is the InChIKey of 3-[(2-hydroxycyclohexyl)methylamino]butanoic acid?
The InChIKey is GNRGZUXBWGJOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(6-11(14)15)12-7-9-4-2-3-5-10(9)13/h8-10,12-13H,2-7H2,1H3,(H,14,15).
What are the key properties of 3-[(2-hydroxycyclohexyl)methylamino]butanoic acid?
3-[(2-hydroxycyclohexyl)methylamino]butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxycyclohexyl)methylamino]butanoic acid is sourced from PubChem (CID 64911182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).