cyclopropylmethyl 3-amino-2,2-dimethylpropanoate

C9H17NO2 — CID 115428189

IUPACcyclopropylmethyl 3-amino-2,2-dimethylpropanoate
SMILESCC(C)(CN)C(=O)OCC1CC1
InChIInChI=1S/C9H17NO2/c1-9(2,6-10)8(11)12-5-7-3-4-7/h7H,3-6,10H2,1-2H3
InChIKeyPKVZLNGYLRNOON-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.92
Rot. Bonds4

About cyclopropylmethyl 3-amino-2,2-dimethylpropanoate

cyclopropylmethyl 3-amino-2,2-dimethylpropanoate (PubChem CID 115428189) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is cyclopropylmethyl 3-amino-2,2-dimethylpropanoate.

Molecular Properties

Compound Namecyclopropylmethyl 3-amino-2,2-dimethylpropanoate
PubChem CID115428189
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namecyclopropylmethyl 3-amino-2,2-dimethylpropanoate
SMILESCC(C)(CN)C(=O)OCC1CC1
InChIInChI=1S/C9H17NO2/c1-9(2,6-10)8(11)12-5-7-3-4-7/h7H,3-6,10H2,1-2H3
InChIKeyPKVZLNGYLRNOON-UHFFFAOYSA-N
XLogP0.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropylmethyl 2-bromo-2-methylpropanoate
CID 134896391
[4-(hydroxymethyl)cyclohexyl]methyl 2,2-dimethylpropanoate
CID 15349892
piperidin-4-ylmethyl 2,2-dimethylbutanoate
CID 59513098
4-(cyclohexylmethoxy)-3,3-dimethyl-4-oxobutanoic acid
CID 54253433
cyclopentylmethyl 2-amino-2-methylpropanoate
CID 66321792
3-amino-N-[2-(cyclopropylmethoxy)ethyl]-2,2-dimethylpropanamide
CID 103809924
cyclopropylmethyl acetate
CID 538333
oxan-4-ylmethyl 2-amino-2-methylbutanoate
CID 79797909
[4-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexyl]methyl 2,2-dimethylbutanoate
CID 59837094
(3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate
CID 115428214
3-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 63971157
cyclohexylmethyl 2-amino-2-methylbutanoate
CID 79799242

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 3-amino-2,2-dimethylpropanoate?
The IUPAC name of cyclopropylmethyl 3-amino-2,2-dimethylpropanoate (CID 115428189) is cyclopropylmethyl 3-amino-2,2-dimethylpropanoate.
What is the SMILES notation for cyclopropylmethyl 3-amino-2,2-dimethylpropanoate?
The canonical SMILES for cyclopropylmethyl 3-amino-2,2-dimethylpropanoate is CC(C)(CN)C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 3-amino-2,2-dimethylpropanoate?
The InChIKey is PKVZLNGYLRNOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2,6-10)8(11)12-5-7-3-4-7/h7H,3-6,10H2,1-2H3.
What are the key properties of cyclopropylmethyl 3-amino-2,2-dimethylpropanoate?
cyclopropylmethyl 3-amino-2,2-dimethylpropanoate has a molecular weight of 171.24 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 3-amino-2,2-dimethylpropanoate is sourced from PubChem (CID 115428189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).