3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid

C10H17NO4 — CID 87528916

IUPAC3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid
SMILESC=C(C)C(=O)OC(C)(N)C(C)(C)C(=O)O
InChIInChI=1S/C10H17NO4/c1-6(2)7(12)15-10(5,11)9(3,4)8(13)14/h1,11H2,2-5H3,(H,13,14)
InChIKeyHGGBBDYBEJHAQG-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.89
Rot. Bonds4

About 3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid

3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid (PubChem CID 87528916) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid
PubChem CID87528916
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid
SMILESC=C(C)C(=O)OC(C)(N)C(C)(C)C(=O)O
InChIInChI=1S/C10H17NO4/c1-6(2)7(12)15-10(5,11)9(3,4)8(13)14/h1,11H2,2-5H3,(H,13,14)
InChIKeyHGGBBDYBEJHAQG-UHFFFAOYSA-N
XLogP0.89
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
2-hydrazinylpropan-2-yl 2-methylprop-2-enoate
CID 163490890
1,1,2-triaminoethyl 2-methylprop-2-enoate;hydrochloride
CID 87615318
2,2,4-trimethyl-4-(2-methylprop-2-enoyloxy)pentanoic acid
CID 88579591
[2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 142750800
2-[2-(2-methylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 2-methylprop-2-enoate
CID 150274011
2,2,3,3,5-pentamethyl-4-oxohex-5-enoic acid
CID 118670942
[1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium
CID 151778354
2,5-dimethyl-5-(2-methylprop-2-enoyloxy)hex-2-enoic acid
CID 175238200
(2R)-2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoic acid
CID 97052188
methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium
CID 59049083
[2,6-dimethyl-6-(2-methylprop-2-enoyloxy)-4-oxoheptan-2-yl] 2-methylprop-2-enoate
CID 139852007

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid?
The IUPAC name of 3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid (CID 87528916) is 3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid.
What is the SMILES notation for 3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid?
The canonical SMILES for 3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid is C=C(C)C(=O)OC(C)(N)C(C)(C)C(=O)O.
What is the InChIKey of 3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid?
The InChIKey is HGGBBDYBEJHAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6(2)7(12)15-10(5,11)9(3,4)8(13)14/h1,11H2,2-5H3,(H,13,14).
What are the key properties of 3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid?
3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid is sourced from PubChem (CID 87528916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).