2,3-dimethyl-2-[methyl(prop-2-enoyl)amino]butanoic acid

C10H17NO3 — CID 175104689

IUPAC2,3-dimethyl-2-[methyl(prop-2-enoyl)amino]butanoic acid
SMILESC=CC(=O)N(C)C(C)(C(=O)O)C(C)C
InChIInChI=1S/C10H17NO3/c1-6-8(12)11(5)10(4,7(2)3)9(13)14/h6-7H,1H2,2-5H3,(H,13,14)
InChIKeyGOYVNFKEMXYUJE-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.13
Rot. Bonds4

About 2,3-dimethyl-2-[methyl(prop-2-enoyl)amino]butanoic acid

2,3-dimethyl-2-[methyl(prop-2-enoyl)amino]butanoic acid (PubChem CID 175104689) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2,3-dimethyl-2-[methyl(prop-2-enoyl)amino]butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-2-[methyl(prop-2-enoyl)amino]butanoic acid
PubChem CID175104689
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2,3-dimethyl-2-[methyl(prop-2-enoyl)amino]butanoic acid
SMILESC=CC(=O)N(C)C(C)(C(=O)O)C(C)C
InChIInChI=1S/C10H17NO3/c1-6-8(12)11(5)10(4,7(2)3)9(13)14/h6-7H,1H2,2-5H3,(H,13,14)
InChIKeyGOYVNFKEMXYUJE-UHFFFAOYSA-N
XLogP1.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide
CID 87731814
methane;N-methyl-N-(2-methyl-1-methylsulfonylpropan-2-yl)prop-2-enamide
CID 159896878
2-[but-3-en-2-yl(methyl)amino]-2-methylpropanoic acid
CID 62819782
2,2-dimethylpropanoic acid;prop-2-enoic acid
CID 88656753
N,N-di(propan-2-yl)prop-2-enamide;ruthenium
CID 90254621
N,N-bis(1-hydroxyethyl)prop-2-enamide
CID 22665003
N,N-dimethylmethanamine;prop-2-enoic acid
CID 87439346
(2S)-2-hydroxy-2-methylbut-3-enoic acid
CID 11205735
2,3,3-trimethylpent-4-enoic acid
CID 549584
[4-(dimethylamino)-2-methylbutan-2-yl] prop-2-enoate
CID 139716915
N-cyclopropyl-N-[(2R)-2-hydroxypropyl]prop-2-enamide
CID 166415254
6-(dimethylamino)-2,2,5-trimethyl-6-oxohexanoic acid;N,N-dimethylprop-2-enamide;2-methylprop-2-enoic acid
CID 161196672

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-[methyl(prop-2-enoyl)amino]butanoic acid?
The IUPAC name of 2,3-dimethyl-2-[methyl(prop-2-enoyl)amino]butanoic acid (CID 175104689) is 2,3-dimethyl-2-[methyl(prop-2-enoyl)amino]butanoic acid.
What is the SMILES notation for 2,3-dimethyl-2-[methyl(prop-2-enoyl)amino]butanoic acid?
The canonical SMILES for 2,3-dimethyl-2-[methyl(prop-2-enoyl)amino]butanoic acid is C=CC(=O)N(C)C(C)(C(=O)O)C(C)C.
What is the InChIKey of 2,3-dimethyl-2-[methyl(prop-2-enoyl)amino]butanoic acid?
The InChIKey is GOYVNFKEMXYUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6-8(12)11(5)10(4,7(2)3)9(13)14/h6-7H,1H2,2-5H3,(H,13,14).
What are the key properties of 2,3-dimethyl-2-[methyl(prop-2-enoyl)amino]butanoic acid?
2,3-dimethyl-2-[methyl(prop-2-enoyl)amino]butanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-[methyl(prop-2-enoyl)amino]butanoic acid is sourced from PubChem (CID 175104689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).