methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]-2-hydroxypropanoate

C9H18N2O4 — CID 107222678

IUPACmethyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)C(C)(C)CN
InChIInChI=1S/C9H18N2O4/c1-9(2,5-10)8(14)11-4-6(12)7(13)15-3/h6,12H,4-5,10H2,1-3H3,(H,11,14)
InChIKeyWMTQXWVPCKZZNE-UHFFFAOYSA-N
MW218.25 g/mol
LogP-1.38
Rot. Bonds5

About methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]-2-hydroxypropanoate

methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]-2-hydroxypropanoate (PubChem CID 107222678) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]-2-hydroxypropanoate
PubChem CID107222678
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Namemethyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)C(C)(C)CN
InChIInChI=1S/C9H18N2O4/c1-9(2,5-10)8(14)11-4-6(12)7(13)15-3/h6,12H,4-5,10H2,1-3H3,(H,11,14)
InChIKeyWMTQXWVPCKZZNE-UHFFFAOYSA-N
XLogP-1.38
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide
CID 115426751
methyl 2-hydroxy-3-(2,2,3,3-tetrafluoropropanoylamino)propanoate
CID 103958229
methyl 3-[(3-amino-3-methylbutanoyl)amino]-2-hydroxypropanoate
CID 107222707
methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate
CID 107222651
methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]propanoate
CID 81489476
3-amino-N-(2-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide
CID 115426775
methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate
CID 103846044
5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid
CID 82688450
methyl 2-hydroxy-3-(methylamino)propanoate
CID 86646378
4-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 107214917
methyl (2R)-2-hydroxy-4,4-dimethylpentanoate
CID 59424547
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethylpropanamide
CID 103809518

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]-2-hydroxypropanoate (CID 107222678) is methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)C(C)(C)CN.
What is the InChIKey of methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]-2-hydroxypropanoate?
The InChIKey is WMTQXWVPCKZZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(2,5-10)8(14)11-4-6(12)7(13)15-3/h6,12H,4-5,10H2,1-3H3,(H,11,14).
What are the key properties of methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]-2-hydroxypropanoate?
methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]-2-hydroxypropanoate has a molecular weight of 218.25 g/mol, XLogP of -1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]-2-hydroxypropanoate is sourced from PubChem (CID 107222678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).