2-(2,3-dimethylpent-2-enoyloxyamino)-2-methylpropanoic acid

C11H19NO4 — CID 174397998

IUPAC2-(2,3-dimethylpent-2-enoyloxyamino)-2-methylpropanoic acid
SMILESCCC(C)=C(C)C(=O)ONC(C)(C)C(=O)O
InChIInChI=1S/C11H19NO4/c1-6-7(2)8(3)9(13)16-12-11(4,5)10(14)15/h12H,6H2,1-5H3,(H,14,15)
InChIKeyPJILARGUCVRPBX-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.64
Rot. Bonds5

About 2-(2,3-dimethylpent-2-enoyloxyamino)-2-methylpropanoic acid

2-(2,3-dimethylpent-2-enoyloxyamino)-2-methylpropanoic acid (PubChem CID 174397998) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(2,3-dimethylpent-2-enoyloxyamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2,3-dimethylpent-2-enoyloxyamino)-2-methylpropanoic acid
PubChem CID174397998
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-(2,3-dimethylpent-2-enoyloxyamino)-2-methylpropanoic acid
SMILESCCC(C)=C(C)C(=O)ONC(C)(C)C(=O)O
InChIInChI=1S/C11H19NO4/c1-6-7(2)8(3)9(13)16-12-11(4,5)10(14)15/h12H,6H2,1-5H3,(H,14,15)
InChIKeyPJILARGUCVRPBX-UHFFFAOYSA-N
XLogP1.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azane;methyl 2,3-dimethylpent-2-enoate;hydrochloride
CID 174493764
(2,3-dimethylbut-3-en-2-ylamino) acetate
CID 88635791
dodecyl 2,3-dimethylpent-2-enoate
CID 175923005
(Z)-3,4-dimethylhex-3-enoic acid
CID 55301212
2-methyl-2-(2,4,4-trimethylpentan-2-ylamino)propanoic acid
CID 115001634
2-[[3-(2-carboxypropan-2-ylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-2-methylpropanoic acid
CID 11312683
2-methyl-2-(4-methylhexa-1,3-dien-3-yl)propanedioic acid
CID 90731067
ethyl (E)-2-cyano-3-methylpent-2-enoate
CID 3034577
tert-butyl N-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]carbamate
CID 142024551
butan-2-one;bis(2,2-dimethylpropane)
CID 162008029
2,2-dimethyl-3,5-dioxohexanoic acid
CID 57142628
(E)-2-hydroxy-3-methylpent-2-enoic acid
CID 23161417

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpent-2-enoyloxyamino)-2-methylpropanoic acid?
The IUPAC name of 2-(2,3-dimethylpent-2-enoyloxyamino)-2-methylpropanoic acid (CID 174397998) is 2-(2,3-dimethylpent-2-enoyloxyamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2,3-dimethylpent-2-enoyloxyamino)-2-methylpropanoic acid?
The canonical SMILES for 2-(2,3-dimethylpent-2-enoyloxyamino)-2-methylpropanoic acid is CCC(C)=C(C)C(=O)ONC(C)(C)C(=O)O.
What is the InChIKey of 2-(2,3-dimethylpent-2-enoyloxyamino)-2-methylpropanoic acid?
The InChIKey is PJILARGUCVRPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-6-7(2)8(3)9(13)16-12-11(4,5)10(14)15/h12H,6H2,1-5H3,(H,14,15).
What are the key properties of 2-(2,3-dimethylpent-2-enoyloxyamino)-2-methylpropanoic acid?
2-(2,3-dimethylpent-2-enoyloxyamino)-2-methylpropanoic acid has a molecular weight of 229.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpent-2-enoyloxyamino)-2-methylpropanoic acid is sourced from PubChem (CID 174397998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).