2,2-dimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylic acid

C11H17NO2 — CID 79856485

IUPAC2,2-dimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylic acid
SMILESC#CCNC1(C(=O)O)CCCC1(C)C
InChIInChI=1S/C11H17NO2/c1-4-8-12-11(9(13)14)7-5-6-10(11,2)3/h1,12H,5-8H2,2-3H3,(H,13,14)
InChIKeyZIGVBMOAIMNUHO-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.24
Rot. Bonds3

About 2,2-dimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylic acid

2,2-dimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylic acid (PubChem CID 79856485) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2,2-dimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylic acid
PubChem CID79856485
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2,2-dimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylic acid
SMILESC#CCNC1(C(=O)O)CCCC1(C)C
InChIInChI=1S/C11H17NO2/c1-4-8-12-11(9(13)14)7-5-6-10(11,2)3/h1,12H,5-8H2,2-3H3,(H,13,14)
InChIKeyZIGVBMOAIMNUHO-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-3-(prop-2-ynylamino)thiane-3-carboxylic acid
CID 79948576
2,2-dimethyl-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79856584
1-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]cyclobutane-1-carboxylic acid
CID 81167570
2,4,4-trimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylic acid
CID 106663396
1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 24699063
2-tert-butyl-1-(prop-2-ynylamino)cyclohexane-1-carboxylic acid
CID 61340120
methyl 1-(cyclopropylmethylamino)-2,2-dimethylcyclopentane-1-carboxylate
CID 79857506
methyl 1-(prop-2-ynylamino)cyclohexane-1-carboxylate
CID 62367369
(1S)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 11805005
1-(2-fluoroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid
CID 79857270
1-(3-chloroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid
CID 79856476
1-(aminomethyl)-N-prop-2-ynylcyclobutan-1-amine
CID 79520652

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylic acid (CID 79856485) is 2,2-dimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylic acid is C#CCNC1(C(=O)O)CCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylic acid?
The InChIKey is ZIGVBMOAIMNUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-8-12-11(9(13)14)7-5-6-10(11,2)3/h1,12H,5-8H2,2-3H3,(H,13,14).
What are the key properties of 2,2-dimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylic acid?
2,2-dimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylic acid has a molecular weight of 195.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79856485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).