2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate

C10H19NO4 — CID 156731483

IUPAC2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate
SMILESCC(C)C(=O)OCOC(=O)C(N)C(C)C
InChIInChI=1S/C10H19NO4/c1-6(2)8(11)10(13)15-5-14-9(12)7(3)4/h6-8H,5,11H2,1-4H3
InChIKeyJVAJHCVGKTYDSJ-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.67
Rot. Bonds5

About 2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate

2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate (PubChem CID 156731483) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate.

Molecular Properties

Compound Name2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate
PubChem CID156731483
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate
SMILESCC(C)C(=O)OCOC(=O)C(N)C(C)C
InChIInChI=1S/C10H19NO4/c1-6(2)8(11)10(13)15-5-14-9(12)7(3)4/h6-8H,5,11H2,1-4H3
InChIKeyJVAJHCVGKTYDSJ-UHFFFAOYSA-N
XLogP0.67
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-aminopropanoyl]oxymethyl 2-methylpropanoate
CID 155408739
iodomethyl (2S)-2-amino-3-methylbutanoate
CID 141352500
amino (2R)-2-amino-3-methylbutanoate
CID 135308017
2-methylpropanoyloxymethoxyphosphanyloxymethyl 2-methylpropanoate
CID 141382617
1-hydroxyethyl 2-amino-3-methylbutanoate
CID 87071351
methyl 2-amino-3-methylbutanoate chloride
CID 3083912
iodo 2-amino-3-methylbutanoate
CID 76549706
2-ethoxyethyl 2-amino-3-methylbutanoate
CID 61276999
3-iodopropyl (2R)-2-amino-3-methylbutanoate
CID 90070653
pentyl (2S)-2-amino-3-methylbutanoate
CID 61302518
2-(methylamino)ethyl 2-amino-3-methylbutanoate
CID 72523693
(diaminomethylideneamino) (2S)-2-amino-3-methylbutanoate
CID 175062264

Frequently Asked Questions

What is the IUPAC name of 2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate?
The IUPAC name of 2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate (CID 156731483) is 2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate.
What is the SMILES notation for 2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate?
The canonical SMILES for 2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate is CC(C)C(=O)OCOC(=O)C(N)C(C)C.
What is the InChIKey of 2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate?
The InChIKey is JVAJHCVGKTYDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-6(2)8(11)10(13)15-5-14-9(12)7(3)4/h6-8H,5,11H2,1-4H3.
What are the key properties of 2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate?
2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate has a molecular weight of 217.26 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate is sourced from PubChem (CID 156731483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).