2-(2-methylbut-3-yn-2-ylamino)cyclobutane-1-carboxylic acid

C10H15NO2 — CID 103252082

IUPAC2-(2-methylbut-3-yn-2-ylamino)cyclobutane-1-carboxylic acid
SMILESC#CC(C)(C)NC1CCC1C(=O)O
InChIInChI=1S/C10H15NO2/c1-4-10(2,3)11-8-6-5-7(8)9(12)13/h1,7-8,11H,5-6H2,2-3H3,(H,12,13)
InChIKeyFTCVJEMLKPNNSI-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.85
Rot. Bonds3

About 2-(2-methylbut-3-yn-2-ylamino)cyclobutane-1-carboxylic acid

2-(2-methylbut-3-yn-2-ylamino)cyclobutane-1-carboxylic acid (PubChem CID 103252082) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(2-methylbut-3-yn-2-ylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylbut-3-yn-2-ylamino)cyclobutane-1-carboxylic acid
PubChem CID103252082
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-(2-methylbut-3-yn-2-ylamino)cyclobutane-1-carboxylic acid
SMILESC#CC(C)(C)NC1CCC1C(=O)O
InChIInChI=1S/C10H15NO2/c1-4-10(2,3)11-8-6-5-7(8)9(12)13/h1,7-8,11H,5-6H2,2-3H3,(H,12,13)
InChIKeyFTCVJEMLKPNNSI-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.85
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

2-[(4-hydroxy-2-methylbutan-2-yl)amino]cyclobutane-1-carboxylic acid
CID 103267800
2-methyl-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine
CID 63997318
trans-(1S,2S)-2-(2-methylbut-3-yn-2-ylamino)cyclopentan-1-ol
CID 102733511
2-[3-(hydroxymethyl)pentan-3-ylamino]cyclobutane-1-carboxylic acid
CID 103249106
trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 84654598
2-methyl-N-(2-methylbut-3-yn-2-yl)pyrrolidine-3-carboxamide
CID 79384521
2-methoxy-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine
CID 63997716
2-(3-methylbutan-2-ylamino)cyclobutane-1-carboxylic acid
CID 103230437
2-(propylamino)cyclobutane-1-carboxylic acid
CID 103235108
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
N-(2-methylbut-3-yn-2-yl)thiolan-3-amine
CID 63997092
N-(2-methylbut-3-yn-2-yl)-1,1-dioxothian-4-amine
CID 63997125

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbut-3-yn-2-ylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(2-methylbut-3-yn-2-ylamino)cyclobutane-1-carboxylic acid (CID 103252082) is 2-(2-methylbut-3-yn-2-ylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylbut-3-yn-2-ylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(2-methylbut-3-yn-2-ylamino)cyclobutane-1-carboxylic acid is C#CC(C)(C)NC1CCC1C(=O)O.
What is the InChIKey of 2-(2-methylbut-3-yn-2-ylamino)cyclobutane-1-carboxylic acid?
The InChIKey is FTCVJEMLKPNNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-10(2,3)11-8-6-5-7(8)9(12)13/h1,7-8,11H,5-6H2,2-3H3,(H,12,13).
What are the key properties of 2-(2-methylbut-3-yn-2-ylamino)cyclobutane-1-carboxylic acid?
2-(2-methylbut-3-yn-2-ylamino)cyclobutane-1-carboxylic acid has a molecular weight of 181.23 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbut-3-yn-2-ylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103252082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).