tert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate

C11H21NO2 — CID 90204397

IUPACtert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(N)CC1CC1
InChIInChI=1S/C11H21NO2/c1-10(2,3)14-9(13)11(4,12)7-8-5-6-8/h8H,5-7,12H2,1-4H3
InChIKeyMXZUGKSTHPGUDO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds3

About tert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate

tert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate (PubChem CID 90204397) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate
PubChem CID90204397
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(N)CC1CC1
InChIInChI=1S/C11H21NO2/c1-10(2,3)14-9(13)11(4,12)7-8-5-6-8/h8H,5-7,12H2,1-4H3
InChIKeyMXZUGKSTHPGUDO-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-amino-2-methylbutanoate
CID 57065148
2-amino-2-(cyclopropylmethylsulfanylmethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 142774967
tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 166066417
tert-butyl 2-amino-2-cyclopropylpropanoate
CID 18379175
2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[(4-prop-2-enoxycyclohexyl)methyl]propanoic acid
CID 174613059
tert-butyl (2S)-2,5-diamino-2-methylpentanoate
CID 54077962
tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate
CID 84726052
(1-cyclopropyl-2-methylpropan-2-yl) acetate
CID 174859828
methyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate
CID 106487865
(1-cyclopropyl-2-methylpropan-2-yl) 2,2,2-trifluoroacetate
CID 149076499
tert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate
CID 175133888
tert-butyl 2,2-diamino-2-cyclohexylacetate
CID 70137368

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate?
The IUPAC name of tert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate (CID 90204397) is tert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate.
What is the SMILES notation for tert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate?
The canonical SMILES for tert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate is CC(C)(C)OC(=O)C(C)(N)CC1CC1.
What is the InChIKey of tert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate?
The InChIKey is MXZUGKSTHPGUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2,3)14-9(13)11(4,12)7-8-5-6-8/h8H,5-7,12H2,1-4H3.
What are the key properties of tert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate?
tert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate has a molecular weight of 199.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate is sourced from PubChem (CID 90204397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).