1-(2,2-dimethylpropanoylamino)cyclopentane-1-carboxylic acid

C11H19NO3 — CID 20627808

IUPAC1-(2,2-dimethylpropanoylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)(C)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H19NO3/c1-10(2,3)8(13)12-11(9(14)15)6-4-5-7-11/h4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyWMZAJZFFBIAHBZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds2

About 1-(2,2-dimethylpropanoylamino)cyclopentane-1-carboxylic acid

1-(2,2-dimethylpropanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 20627808) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoylamino)cyclopentane-1-carboxylic acid
PubChem CID20627808
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(2,2-dimethylpropanoylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)(C)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H19NO3/c1-10(2,3)8(13)12-11(9(14)15)6-4-5-7-11/h4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyWMZAJZFFBIAHBZ-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylpropanoylamino)cyclopentane-1-carboxylic acid (CID 20627808) is 1-(2,2-dimethylpropanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylpropanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylpropanoylamino)cyclopentane-1-carboxylic acid is CC(C)(C)C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(2,2-dimethylpropanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is WMZAJZFFBIAHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2,3)8(13)12-11(9(14)15)6-4-5-7-11/h4-7H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 1-(2,2-dimethylpropanoylamino)cyclopentane-1-carboxylic acid?
1-(2,2-dimethylpropanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 20627808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).