4-hydroxy-4-(methylaminomethyl)cyclopentane-1,2-dicarboxylic acid

C9H15NO5 — CID 140503967

IUPAC4-hydroxy-4-(methylaminomethyl)cyclopentane-1,2-dicarboxylic acid
SMILESCNCC1(O)CC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C9H15NO5/c1-10-4-9(15)2-5(7(11)12)6(3-9)8(13)14/h5-6,10,15H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyAYYOJXNOEPHEDP-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.87
Rot. Bonds4

About 4-hydroxy-4-(methylaminomethyl)cyclopentane-1,2-dicarboxylic acid

4-hydroxy-4-(methylaminomethyl)cyclopentane-1,2-dicarboxylic acid (PubChem CID 140503967) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-hydroxy-4-(methylaminomethyl)cyclopentane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-(methylaminomethyl)cyclopentane-1,2-dicarboxylic acid
PubChem CID140503967
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name4-hydroxy-4-(methylaminomethyl)cyclopentane-1,2-dicarboxylic acid
SMILESCNCC1(O)CC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C9H15NO5/c1-10-4-9(15)2-5(7(11)12)6(3-9)8(13)14/h5-6,10,15H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyAYYOJXNOEPHEDP-UHFFFAOYSA-N
XLogP-0.87
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-aminocyclopentane-1,2,4-tricarboxylic acid
CID 4302961
2-[(3aR,7aS)-2-(methylaminomethyl)-1,3,3a,4,5,6,7,7a-octahydroinden-2-yl]acetic acid
CID 71211585
1-(methylaminomethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107450419
2-[(1-hydroxy-4-methylcyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 65116832
3,3-dimethyl-1-(methylaminomethyl)cyclopentan-1-ol
CID 80698803
1-(methylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64758872
1-(methylaminomethyl)-4-phenylcyclohexan-1-ol
CID 62774871
2-(methylaminomethyl)bicyclo[2.2.2]octan-2-ol
CID 130991731
2-ethyl-1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 39347040
2-(methylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084193
2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid
CID 4627778
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
CID 6995705

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(methylaminomethyl)cyclopentane-1,2-dicarboxylic acid?
The IUPAC name of 4-hydroxy-4-(methylaminomethyl)cyclopentane-1,2-dicarboxylic acid (CID 140503967) is 4-hydroxy-4-(methylaminomethyl)cyclopentane-1,2-dicarboxylic acid.
What is the SMILES notation for 4-hydroxy-4-(methylaminomethyl)cyclopentane-1,2-dicarboxylic acid?
The canonical SMILES for 4-hydroxy-4-(methylaminomethyl)cyclopentane-1,2-dicarboxylic acid is CNCC1(O)CC(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 4-hydroxy-4-(methylaminomethyl)cyclopentane-1,2-dicarboxylic acid?
The InChIKey is AYYOJXNOEPHEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-10-4-9(15)2-5(7(11)12)6(3-9)8(13)14/h5-6,10,15H,2-4H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 4-hydroxy-4-(methylaminomethyl)cyclopentane-1,2-dicarboxylic acid?
4-hydroxy-4-(methylaminomethyl)cyclopentane-1,2-dicarboxylic acid has a molecular weight of 217.22 g/mol, XLogP of -0.87, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(methylaminomethyl)cyclopentane-1,2-dicarboxylic acid is sourced from PubChem (CID 140503967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).