3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid

C12H23NO3 — CID 65122525

IUPAC3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid
SMILESCC(CNCC1(O)CCCCCC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-10(11(14)15)8-13-9-12(16)6-4-2-3-5-7-12/h10,13,16H,2-9H2,1H3,(H,14,15)
InChIKeyQAPZXXLILRJXFL-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.38
Rot. Bonds5

About 3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid

3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid (PubChem CID 65122525) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid
PubChem CID65122525
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid
SMILESCC(CNCC1(O)CCCCCC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-10(11(14)15)8-13-9-12(16)6-4-2-3-5-7-12/h10,13,16H,2-9H2,1H3,(H,14,15)
InChIKeyQAPZXXLILRJXFL-UHFFFAOYSA-N
XLogP1.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-[(1-hydroxycycloheptyl)methylamino]propanoic acid
CID 65122370
2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid
CID 63821690
1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol
CID 64568933
1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 62692015
2-[(1-hydroxycyclopentyl)methylamino]propanoic acid
CID 65108936
methyl 2-bromo-3-[(1-hydroxycyclohexyl)methylamino]propanoate
CID 103253658
4-[(1-hydroxycyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498630
1-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]cycloheptan-1-ol
CID 107442354
3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid
CID 62520820
ethyl 3-hydroxy-4-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 103253206
1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]cycloheptan-1-ol
CID 114113614
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid (CID 65122525) is 3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid is CC(CNCC1(O)CCCCCC1)C(=O)O.
What is the InChIKey of 3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid?
The InChIKey is QAPZXXLILRJXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(11(14)15)8-13-9-12(16)6-4-2-3-5-7-12/h10,13,16H,2-9H2,1H3,(H,14,15).
What are the key properties of 3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid?
3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 65122525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).