2-amino-2,2-di(cyclobutyl)acetate

C10H16NO2- — CID 19431537

IUPAC2-amino-2,2-di(cyclobutyl)acetate
SMILESNC(C(=O)[O-])(C1CCC1)C1CCC1
InChIInChI=1S/C10H17NO2/c11-10(9(12)13,7-3-1-4-7)8-5-2-6-8/h7-8H,1-6,11H2,(H,12,13)/p-1
InChIKeyVDWQTNOPQRIQNR-UHFFFAOYSA-M
MW182.24 g/mol
LogP0.03
Rot. Bonds3

About 2-amino-2,2-di(cyclobutyl)acetate

2-amino-2,2-di(cyclobutyl)acetate (PubChem CID 19431537) has the molecular formula C10H16NO2- and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-amino-2,2-di(cyclobutyl)acetate.

Molecular Properties

Compound Name2-amino-2,2-di(cyclobutyl)acetate
PubChem CID19431537
Molecular FormulaC10H16NO2-
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name2-amino-2,2-di(cyclobutyl)acetate
SMILESNC(C(=O)[O-])(C1CCC1)C1CCC1
InChIInChI=1S/C10H17NO2/c11-10(9(12)13,7-3-1-4-7)8-5-2-6-8/h7-8H,1-6,11H2,(H,12,13)/p-1
InChIKeyVDWQTNOPQRIQNR-UHFFFAOYSA-M
XLogP0.03
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid
CID 67022454
2-cyclohexyl-2-methylpropanoate
CID 57470554
2-amino-2-cyclobutyl-3,3-difluoropropanoic acid
CID 105437833
(2R)-2-azaniumyl-2-cyclopropylpropanoate
CID 6993890
strontium bis(2,2,3,3-tetracyclohexylbutanoate)
CID 139989805
2-amino-2-cyclohexyl-2-fluoroacetic acid
CID 176668442
(2S)-2-amino-2-cyclopentylpropanoic acid;hydrochloride
CID 66824792
(2S)-2-amino-2-cyclohexyl-2-(2,3-dihydro-1H-inden-2-yl)acetic acid
CID 67022585
3-amino-2-cyclobutyl-2-cyclopropylpropanoic acid
CID 106489641
azanium cyclobutanecarboxylate
CID 160775595
2-amino-4-cyclobutyl-2-hydroxybutanamide
CID 154309484
3-amino-2-cyclobutyl-2-methylpropanoic acid
CID 106487162

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,2-di(cyclobutyl)acetate?
The IUPAC name of 2-amino-2,2-di(cyclobutyl)acetate (CID 19431537) is 2-amino-2,2-di(cyclobutyl)acetate.
What is the SMILES notation for 2-amino-2,2-di(cyclobutyl)acetate?
The canonical SMILES for 2-amino-2,2-di(cyclobutyl)acetate is NC(C(=O)[O-])(C1CCC1)C1CCC1.
What is the InChIKey of 2-amino-2,2-di(cyclobutyl)acetate?
The InChIKey is VDWQTNOPQRIQNR-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H17NO2/c11-10(9(12)13,7-3-1-4-7)8-5-2-6-8/h7-8H,1-6,11H2,(H,12,13)/p-1.
What are the key properties of 2-amino-2,2-di(cyclobutyl)acetate?
2-amino-2,2-di(cyclobutyl)acetate has a molecular weight of 182.24 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,2-di(cyclobutyl)acetate is sourced from PubChem (CID 19431537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).