methyl 2-[[(2R,3S)-3,4-dimethylpentan-2-yl]amino]propanoate

C11H23NO2 — CID 122577409

IUPACmethyl 2-[[(2R,3S)-3,4-dimethylpentan-2-yl]amino]propanoate
SMILESCOC(=O)C(C)N[C@H](C)[C@@H](C)C(C)C
InChIInChI=1S/C11H23NO2/c1-7(2)8(3)9(4)12-10(5)11(13)14-6/h7-10,12H,1-6H3/t8-,9+,10?/m0/s1
InChIKeyVXXKIYZOJPBIPI-QIIDTADFSA-N
MW201.31 g/mol
LogP1.82
Rot. Bonds5

About methyl 2-[[(2R,3S)-3,4-dimethylpentan-2-yl]amino]propanoate

methyl 2-[[(2R,3S)-3,4-dimethylpentan-2-yl]amino]propanoate (PubChem CID 122577409) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 2-[[(2R,3S)-3,4-dimethylpentan-2-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[(2R,3S)-3,4-dimethylpentan-2-yl]amino]propanoate
PubChem CID122577409
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 2-[[(2R,3S)-3,4-dimethylpentan-2-yl]amino]propanoate
SMILESCOC(=O)C(C)N[C@H](C)[C@@H](C)C(C)C
InChIInChI=1S/C11H23NO2/c1-7(2)8(3)9(4)12-10(5)11(13)14-6/h7-10,12H,1-6H3/t8-,9+,10?/m0/s1
InChIKeyVXXKIYZOJPBIPI-QIIDTADFSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2R,3S)-3,4-dimethylpentan-2-yl]amino]propanoate?
The IUPAC name of methyl 2-[[(2R,3S)-3,4-dimethylpentan-2-yl]amino]propanoate (CID 122577409) is methyl 2-[[(2R,3S)-3,4-dimethylpentan-2-yl]amino]propanoate.
What is the SMILES notation for methyl 2-[[(2R,3S)-3,4-dimethylpentan-2-yl]amino]propanoate?
The canonical SMILES for methyl 2-[[(2R,3S)-3,4-dimethylpentan-2-yl]amino]propanoate is COC(=O)C(C)N[C@H](C)[C@@H](C)C(C)C.
What is the InChIKey of methyl 2-[[(2R,3S)-3,4-dimethylpentan-2-yl]amino]propanoate?
The InChIKey is VXXKIYZOJPBIPI-QIIDTADFSA-N. The full InChI is InChI=1S/C11H23NO2/c1-7(2)8(3)9(4)12-10(5)11(13)14-6/h7-10,12H,1-6H3/t8-,9+,10?/m0/s1.
What are the key properties of methyl 2-[[(2R,3S)-3,4-dimethylpentan-2-yl]amino]propanoate?
methyl 2-[[(2R,3S)-3,4-dimethylpentan-2-yl]amino]propanoate has a molecular weight of 201.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2R,3S)-3,4-dimethylpentan-2-yl]amino]propanoate is sourced from PubChem (CID 122577409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).