2-propylcyclopentane-1,1-dicarboxylic acid

C10H16O4 — CID 14381279

IUPAC2-propylcyclopentane-1,1-dicarboxylic acid
SMILESCCCC1CCCC1(C(=O)O)C(=O)O
InChIInChI=1S/C10H16O4/c1-2-4-7-5-3-6-10(7,8(11)12)9(13)14/h7H,2-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyDKKPAERJJMPHCZ-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.74
Rot. Bonds4

About 2-propylcyclopentane-1,1-dicarboxylic acid

2-propylcyclopentane-1,1-dicarboxylic acid (PubChem CID 14381279) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-propylcyclopentane-1,1-dicarboxylic acid.

Molecular Properties

Compound Name2-propylcyclopentane-1,1-dicarboxylic acid
PubChem CID14381279
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-propylcyclopentane-1,1-dicarboxylic acid
SMILESCCCC1CCCC1(C(=O)O)C(=O)O
InChIInChI=1S/C10H16O4/c1-2-4-7-5-3-6-10(7,8(11)12)9(13)14/h7H,2-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyDKKPAERJJMPHCZ-UHFFFAOYSA-N
XLogP1.74
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.74
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

1-amino-2-propylcyclohexane-1-carboxylic acid
CID 121281708
(2S)-2-aminocyclopentane-1,1-dicarboxylic acid
CID 67575555
trans-(1S,2R)-1,2-dipropylcyclopentan-1-ol
CID 135054569
2-propylcyclohexane-1,1-diol
CID 19352764
2-(3-bromopropyl)cyclobutane-1,1-dicarboxylic acid
CID 174970169
1-amino-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid
CID 79564018
trans-(1S,3R)-1-ethyl-3-hydroxycyclohexane-1-carboxylic acid
CID 155226353
1-ethyl-3-hydroxycyclohexane-1-carboxylic acid
CID 172797818
1-ethyl-4-methylcycloheptane-1-carboxylic acid
CID 89094333
1-(methylamino)-4-propylcycloheptane-1-carboxylic acid
CID 65088677
trans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 54758925
1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79571683

Frequently Asked Questions

What is the IUPAC name of 2-propylcyclopentane-1,1-dicarboxylic acid?
The IUPAC name of 2-propylcyclopentane-1,1-dicarboxylic acid (CID 14381279) is 2-propylcyclopentane-1,1-dicarboxylic acid.
What is the SMILES notation for 2-propylcyclopentane-1,1-dicarboxylic acid?
The canonical SMILES for 2-propylcyclopentane-1,1-dicarboxylic acid is CCCC1CCCC1(C(=O)O)C(=O)O.
What is the InChIKey of 2-propylcyclopentane-1,1-dicarboxylic acid?
The InChIKey is DKKPAERJJMPHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-2-4-7-5-3-6-10(7,8(11)12)9(13)14/h7H,2-6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-propylcyclopentane-1,1-dicarboxylic acid?
2-propylcyclopentane-1,1-dicarboxylic acid has a molecular weight of 200.23 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylcyclopentane-1,1-dicarboxylic acid is sourced from PubChem (CID 14381279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).