methyl 2,2-dimethyl-3-(propan-2-ylamino)propanoate

C9H19NO2 — CID 13049572

IUPACmethyl 2,2-dimethyl-3-(propan-2-ylamino)propanoate
SMILESCOC(=O)C(C)(C)CNC(C)C
InChIInChI=1S/C9H19NO2/c1-7(2)10-6-9(3,4)8(11)12-5/h7,10H,6H2,1-5H3
InChIKeyIOAIGBJDHOZSQX-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.18
Rot. Bonds4

About methyl 2,2-dimethyl-3-(propan-2-ylamino)propanoate

methyl 2,2-dimethyl-3-(propan-2-ylamino)propanoate (PubChem CID 13049572) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-(propan-2-ylamino)propanoate
PubChem CID13049572
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namemethyl 2,2-dimethyl-3-(propan-2-ylamino)propanoate
SMILESCOC(=O)C(C)(C)CNC(C)C
InChIInChI=1S/C9H19NO2/c1-7(2)10-6-9(3,4)8(11)12-5/h7,10H,6H2,1-5H3
InChIKeyIOAIGBJDHOZSQX-UHFFFAOYSA-N
XLogP1.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-(propan-2-ylamino)propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-(propan-2-ylamino)propanoate (CID 13049572) is methyl 2,2-dimethyl-3-(propan-2-ylamino)propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-(propan-2-ylamino)propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-(propan-2-ylamino)propanoate is COC(=O)C(C)(C)CNC(C)C.
What is the InChIKey of methyl 2,2-dimethyl-3-(propan-2-ylamino)propanoate?
The InChIKey is IOAIGBJDHOZSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)10-6-9(3,4)8(11)12-5/h7,10H,6H2,1-5H3.
What are the key properties of methyl 2,2-dimethyl-3-(propan-2-ylamino)propanoate?
methyl 2,2-dimethyl-3-(propan-2-ylamino)propanoate has a molecular weight of 173.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-(propan-2-ylamino)propanoate is sourced from PubChem (CID 13049572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).