(2R)-2-azaniumyl-2-cyclopropylpropanoate

C6H11NO2 — CID 6993890

IUPAC(2R)-2-azaniumyl-2-cyclopropylpropanoate
SMILESC[C@]([NH3+])(C(=O)[O-])C1CC1
InChIInChI=1S/C6H11NO2/c1-6(7,5(8)9)4-2-3-4/h4H,2-3,7H2,1H3,(H,8,9)/t6-/m1/s1
InChIKeyVRFYYCFVOBCXDL-ZCFIWIBFSA-N
MW129.16 g/mol
LogP-1.85
Rot. Bonds2

About (2R)-2-azaniumyl-2-cyclopropylpropanoate

(2R)-2-azaniumyl-2-cyclopropylpropanoate (PubChem CID 6993890) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (2R)-2-azaniumyl-2-cyclopropylpropanoate.

Molecular Properties

Compound Name(2R)-2-azaniumyl-2-cyclopropylpropanoate
PubChem CID6993890
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(2R)-2-azaniumyl-2-cyclopropylpropanoate
SMILESC[C@]([NH3+])(C(=O)[O-])C1CC1
InChIInChI=1S/C6H11NO2/c1-6(7,5(8)9)4-2-3-4/h4H,2-3,7H2,1H3,(H,8,9)/t6-/m1/s1
InChIKeyVRFYYCFVOBCXDL-ZCFIWIBFSA-N
XLogP-1.85
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-1.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-methylpropanoate
CID 57470554
2-cyclopropyl-2,3,3-trimethylbutanoic acid
CID 90080319
2-amino-2,2-di(cyclobutyl)acetate
CID 19431537
strontium bis(2,2,3,3-tetracyclohexylbutanoate)
CID 139989805
potassium 2,2-dimethylpropanoate
CID 23662159
iodanium 2,2-dimethylpropanoate
CID 172810367
barium(2+);bis(2,2-dimethylpropanoate)
CID 15120173
2-azaniumyl-3-hydroxy-2-methylpropanoate
CID 25202874
azetidine-3-carboxylate;tert-butylazanium
CID 162190056
(2S)-2-azaniumyl-2-methylbutanedioate
CID 7015722
(2S)-2-amino-2-cyclopropylpropanamide
CID 93311323
2-[4-(2-acetyloxypropan-2-yl)cyclohexyl]propan-2-yl acetate
CID 20767497

Frequently Asked Questions

What is the IUPAC name of (2R)-2-azaniumyl-2-cyclopropylpropanoate?
The IUPAC name of (2R)-2-azaniumyl-2-cyclopropylpropanoate (CID 6993890) is (2R)-2-azaniumyl-2-cyclopropylpropanoate.
What is the SMILES notation for (2R)-2-azaniumyl-2-cyclopropylpropanoate?
The canonical SMILES for (2R)-2-azaniumyl-2-cyclopropylpropanoate is C[C@]([NH3+])(C(=O)[O-])C1CC1.
What is the InChIKey of (2R)-2-azaniumyl-2-cyclopropylpropanoate?
The InChIKey is VRFYYCFVOBCXDL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(7,5(8)9)4-2-3-4/h4H,2-3,7H2,1H3,(H,8,9)/t6-/m1/s1.
What are the key properties of (2R)-2-azaniumyl-2-cyclopropylpropanoate?
(2R)-2-azaniumyl-2-cyclopropylpropanoate has a molecular weight of 129.16 g/mol, XLogP of -1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azaniumyl-2-cyclopropylpropanoate is sourced from PubChem (CID 6993890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).