ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]acetate

C12H22N2O3 — CID 113307595

IUPACethyl 2-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)C(C)(C)CN)C1CC1
InChIInChI=1S/C12H22N2O3/c1-4-17-10(15)7-14(9-5-6-9)11(16)12(2,3)8-13/h9H,4-8,13H2,1-3H3
InChIKeyMJJOIYDLHSCVTR-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.53
Rot. Bonds6

About ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]acetate

ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]acetate (PubChem CID 113307595) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]acetate
PubChem CID113307595
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 2-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)C(C)(C)CN)C1CC1
InChIInChI=1S/C12H22N2O3/c1-4-17-10(15)7-14(9-5-6-9)11(16)12(2,3)8-13/h9H,4-8,13H2,1-3H3
InChIKeyMJJOIYDLHSCVTR-UHFFFAOYSA-N
XLogP0.53
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[cyclopropyl(2,2,3,3-tetrafluoropropanoyl)amino]acetate
CID 103733224
ethyl 2-[(2-aminoacetyl)-cyclobutylamino]acetate
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ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
CID 55150352
ethyl 2-[cyclopropyl-(2-methoxyacetyl)amino]acetate
CID 61410290
ethyl 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate
CID 65173932
ethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate
CID 65465117
ethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate
CID 60949097
ethyl 2-[[(2S)-2-aminopropanoyl]-cyclopropylamino]acetate
CID 61148316
ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate
CID 55150350
3-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]propanoic acid
CID 115426555
ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate
CID 115426417
ethyl 2-[cyclopropyl(2-hydroxyethoxycarbonyl)amino]acetate
CID 79345308

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]acetate (CID 113307595) is ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]acetate is CCOC(=O)CN(C(=O)C(C)(C)CN)C1CC1.
What is the InChIKey of ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]acetate?
The InChIKey is MJJOIYDLHSCVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-17-10(15)7-14(9-5-6-9)11(16)12(2,3)8-13/h9H,4-8,13H2,1-3H3.
What are the key properties of ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]acetate?
ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]acetate has a molecular weight of 242.32 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]acetate is sourced from PubChem (CID 113307595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).