methyl 3-[(3-amino-3-methylbutanoyl)amino]-2-hydroxypropanoate

C9H18N2O4 — CID 107222707

IUPACmethyl 3-[(3-amino-3-methylbutanoyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)CC(C)(C)N
InChIInChI=1S/C9H18N2O4/c1-9(2,10)4-7(13)11-5-6(12)8(14)15-3/h6,12H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyDXGRVXLFGZBHCA-UHFFFAOYSA-N
MW218.25 g/mol
LogP-1.24
Rot. Bonds5

About methyl 3-[(3-amino-3-methylbutanoyl)amino]-2-hydroxypropanoate

methyl 3-[(3-amino-3-methylbutanoyl)amino]-2-hydroxypropanoate (PubChem CID 107222707) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl 3-[(3-amino-3-methylbutanoyl)amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-amino-3-methylbutanoyl)amino]-2-hydroxypropanoate
PubChem CID107222707
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Namemethyl 3-[(3-amino-3-methylbutanoyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)CC(C)(C)N
InChIInChI=1S/C9H18N2O4/c1-9(2,10)4-7(13)11-5-6(12)8(14)15-3/h6,12H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyDXGRVXLFGZBHCA-UHFFFAOYSA-N
XLogP-1.24
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 ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2,2-dimethoxyethyl)-3-methylbutanamide
CID 64679830
4-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 107214917
methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate
CID 107222651
3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid
CID 64678333
methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]-2-hydroxypropanoate
CID 107222678
methyl 2-bromo-3-(3,3-dimethylbutanoylamino)propanoate
CID 103492399
6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid
CID 107214923
methyl 3-(decanoylamino)-2-hydroxypropanoate
CID 103957869
1-[2-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 107214925
methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate
CID 103846044
methyl 2-hydroxy-3-(methylamino)propanoate
CID 86646378
methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103957745

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-amino-3-methylbutanoyl)amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[(3-amino-3-methylbutanoyl)amino]-2-hydroxypropanoate (CID 107222707) is methyl 3-[(3-amino-3-methylbutanoyl)amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[(3-amino-3-methylbutanoyl)amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[(3-amino-3-methylbutanoyl)amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)CC(C)(C)N.
What is the InChIKey of methyl 3-[(3-amino-3-methylbutanoyl)amino]-2-hydroxypropanoate?
The InChIKey is DXGRVXLFGZBHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(2,10)4-7(13)11-5-6(12)8(14)15-3/h6,12H,4-5,10H2,1-3H3,(H,11,13).
What are the key properties of methyl 3-[(3-amino-3-methylbutanoyl)amino]-2-hydroxypropanoate?
methyl 3-[(3-amino-3-methylbutanoyl)amino]-2-hydroxypropanoate has a molecular weight of 218.25 g/mol, XLogP of -1.24, 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-3-methylbutanoyl)amino]-2-hydroxypropanoate is sourced from PubChem (CID 107222707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).