amino 4,4-dimethyl-2-prop-1-en-2-ylpentanoate

C10H19NO2 — CID 174179934

IUPACamino 4,4-dimethyl-2-prop-1-en-2-ylpentanoate
SMILESC=C(C)C(CC(C)(C)C)C(=O)ON
InChIInChI=1S/C10H19NO2/c1-7(2)8(9(12)13-11)6-10(3,4)5/h8H,1,6,11H2,2-5H3
InChIKeyDTAIPERGZKCNGF-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.03
Rot. Bonds3

About amino 4,4-dimethyl-2-prop-1-en-2-ylpentanoate

amino 4,4-dimethyl-2-prop-1-en-2-ylpentanoate (PubChem CID 174179934) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is amino 4,4-dimethyl-2-prop-1-en-2-ylpentanoate.

Molecular Properties

Compound Nameamino 4,4-dimethyl-2-prop-1-en-2-ylpentanoate
PubChem CID174179934
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameamino 4,4-dimethyl-2-prop-1-en-2-ylpentanoate
SMILESC=C(C)C(CC(C)(C)C)C(=O)ON
InChIInChI=1S/C10H19NO2/c1-7(2)8(9(12)13-11)6-10(3,4)5/h8H,1,6,11H2,2-5H3
InChIKeyDTAIPERGZKCNGF-UHFFFAOYSA-N
XLogP2.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-(4,4-dimethyl-2-prop-1-en-2-ylpentyl)hydroxylamine
CID 174180237
2-(2-aminooxy-2-oxoethyl)-3-methylbut-3-enoic acid
CID 90183215
acetyl 2-tert-butyl-4,4-dimethylpentanoate
CID 89383635
2,6,6-trimethyl-4-prop-1-en-2-ylhept-1-ene
CID 90710749
(3S)-3-amino-4-oxo-4-prop-1-en-2-yloxybutanoic acid
CID 139715673
3-methyl-2-prop-1-en-2-ylbut-3-en-1-amine
CID 55284564
methyl (2S)-2,4,4-trimethylpentanoate
CID 87851935
methyl (2R)-2-hydroxy-4,4-dimethylpentanoate
CID 59424547
bis(2,2-dimethylpropyl) 2,3-bis(2,2-dimethylpropyl)butanedioate
CID 22241877
7-amino-2,9,9-trimethyldec-1-en-5-one
CID 114478091
(2R)-2-amino-4,4-dimethylpentanamide
CID 59001111
2-[2-[2-(2-tert-butyl-4,4-dimethylpentanoyl)oxyethoxy]ethoxy]ethyl 2-tert-butyl-4,4-dimethylpentanoate
CID 166861272

Frequently Asked Questions

What is the IUPAC name of amino 4,4-dimethyl-2-prop-1-en-2-ylpentanoate?
The IUPAC name of amino 4,4-dimethyl-2-prop-1-en-2-ylpentanoate (CID 174179934) is amino 4,4-dimethyl-2-prop-1-en-2-ylpentanoate.
What is the SMILES notation for amino 4,4-dimethyl-2-prop-1-en-2-ylpentanoate?
The canonical SMILES for amino 4,4-dimethyl-2-prop-1-en-2-ylpentanoate is C=C(C)C(CC(C)(C)C)C(=O)ON.
What is the InChIKey of amino 4,4-dimethyl-2-prop-1-en-2-ylpentanoate?
The InChIKey is DTAIPERGZKCNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)8(9(12)13-11)6-10(3,4)5/h8H,1,6,11H2,2-5H3.
What are the key properties of amino 4,4-dimethyl-2-prop-1-en-2-ylpentanoate?
amino 4,4-dimethyl-2-prop-1-en-2-ylpentanoate has a molecular weight of 185.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino 4,4-dimethyl-2-prop-1-en-2-ylpentanoate is sourced from PubChem (CID 174179934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).