2-methyl-2-[(1S,2S)-2-methylcyclopentyl]propanedioic acid

C10H16O4 — CID 139926893

IUPAC2-methyl-2-[(1S,2S)-2-methylcyclopentyl]propanedioic acid
SMILESC[C@H]1CCC[C@@H]1C(C)(C(=O)O)C(=O)O
InChIInChI=1S/C10H16O4/c1-6-4-3-5-7(6)10(2,8(11)12)9(13)14/h6-7H,3-5H2,1-2H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1
InChIKeyVNEXDJAEJMZOFT-BQBZGAKWSA-N
MW200.23 g/mol
LogP1.60
Rot. Bonds3

About 2-methyl-2-[(1S,2S)-2-methylcyclopentyl]propanedioic acid

2-methyl-2-[(1S,2S)-2-methylcyclopentyl]propanedioic acid (PubChem CID 139926893) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-methyl-2-[(1S,2S)-2-methylcyclopentyl]propanedioic acid.

Molecular Properties

Compound Name2-methyl-2-[(1S,2S)-2-methylcyclopentyl]propanedioic acid
PubChem CID139926893
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-methyl-2-[(1S,2S)-2-methylcyclopentyl]propanedioic acid
SMILESC[C@H]1CCC[C@@H]1C(C)(C(=O)O)C(=O)O
InChIInChI=1S/C10H16O4/c1-6-4-3-5-7(6)10(2,8(11)12)9(13)14/h6-7H,3-5H2,1-2H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1
InChIKeyVNEXDJAEJMZOFT-BQBZGAKWSA-N
XLogP1.60
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-2-(2-methylcyclohexyl)propanoic acid
CID 172766899
(1R)-1-tert-butyl-2-methylcyclopentane
CID 59875251
trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane
CID 102398260
acetic acid;2-methylcyclopentan-1-ol
CID 71356720
2-methyl-2-[methyl-(2-methylcyclopentyl)amino]propanoic acid
CID 65060695
2,3,3a,7a-tetrahydro-1H-indene;tris(2,2-dimethylpropanoic acid);zirconium
CID 23231710
2-[(1R)-2-(2-hydroxypropan-2-yl)-3-methylcyclohexyl]propan-2-ol
CID 155621775
2-methyl-2-(2-methylcyclopropyl)propanoic acid
CID 57203804
2-(2-hydroxycyclopentyl)sulfanyl-2-methylpropanoic acid
CID 81223181
2-amino-2-(2-methylcyclopentyl)acetic acid
CID 4308805
cis-(1S,2R)-2-methylcyclopentan-1-ol
CID 642631
1-methyl-2-(3-methylpentan-3-yl)cyclohexane
CID 123475804

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1S,2S)-2-methylcyclopentyl]propanedioic acid?
The IUPAC name of 2-methyl-2-[(1S,2S)-2-methylcyclopentyl]propanedioic acid (CID 139926893) is 2-methyl-2-[(1S,2S)-2-methylcyclopentyl]propanedioic acid.
What is the SMILES notation for 2-methyl-2-[(1S,2S)-2-methylcyclopentyl]propanedioic acid?
The canonical SMILES for 2-methyl-2-[(1S,2S)-2-methylcyclopentyl]propanedioic acid is C[C@H]1CCC[C@@H]1C(C)(C(=O)O)C(=O)O.
What is the InChIKey of 2-methyl-2-[(1S,2S)-2-methylcyclopentyl]propanedioic acid?
The InChIKey is VNEXDJAEJMZOFT-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H16O4/c1-6-4-3-5-7(6)10(2,8(11)12)9(13)14/h6-7H,3-5H2,1-2H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1.
What are the key properties of 2-methyl-2-[(1S,2S)-2-methylcyclopentyl]propanedioic acid?
2-methyl-2-[(1S,2S)-2-methylcyclopentyl]propanedioic acid has a molecular weight of 200.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1S,2S)-2-methylcyclopentyl]propanedioic acid is sourced from PubChem (CID 139926893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).