methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate

C11H22N2O3 — CID 103242854

IUPACmethyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate
SMILESCOC(=O)C(CNCC(C)(C)C)NC(C)=O
InChIInChI=1S/C11H22N2O3/c1-8(14)13-9(10(15)16-5)6-12-7-11(2,3)4/h9,12H,6-7H2,1-5H3,(H,13,14)
InChIKeyAHXBMXQIBMEFEX-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.30
Rot. Bonds5

About methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate

methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate (PubChem CID 103242854) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate
PubChem CID103242854
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate
SMILESCOC(=O)C(CNCC(C)(C)C)NC(C)=O
InChIInChI=1S/C11H22N2O3/c1-8(14)13-9(10(15)16-5)6-12-7-11(2,3)4/h9,12H,6-7H2,1-5H3,(H,13,14)
InChIKeyAHXBMXQIBMEFEX-UHFFFAOYSA-N
XLogP0.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid
CID 64583872
methyl 2-acetamido-3-(2,3,3-trimethylbutylamino)propanoate
CID 103262309
methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate
CID 103254421
methyl 2-acetamido-3-(2-ethylbutylamino)propanoate
CID 103267065
methyl 2-acetamido-3-(3,3-dimethylbutan-2-ylamino)propanoate
CID 103265262
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
methyl 2-acetamido-3-(2-ethoxyethylamino)propanoate
CID 103230126
methyl 2-acetamido-3-(ethoxyamino)propanoate
CID 103254521
methyl (2S)-2-acetamidobutanoate
CID 11084154
methyl 2-acetamido-3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]propanoate
CID 103262789
methyl 2-acetamido-3-(3,3-dimethylbutoxy)propanoate
CID 66233558

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate?
The IUPAC name of methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate (CID 103242854) is methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate is COC(=O)C(CNCC(C)(C)C)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate?
The InChIKey is AHXBMXQIBMEFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(14)13-9(10(15)16-5)6-12-7-11(2,3)4/h9,12H,6-7H2,1-5H3,(H,13,14).
What are the key properties of methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate?
methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate has a molecular weight of 230.31 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate is sourced from PubChem (CID 103242854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).