(2,3-dimethylbut-3-en-2-ylamino) acetate

C8H15NO2 — CID 88635791

IUPAC(2,3-dimethylbut-3-en-2-ylamino) acetate
SMILESC=C(C)C(C)(C)NOC(C)=O
InChIInChI=1S/C8H15NO2/c1-6(2)8(4,5)9-11-7(3)10/h9H,1H2,2-5H3
InChIKeyVYCUWYDZXDKZNB-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.41
Rot. Bonds3

About (2,3-dimethylbut-3-en-2-ylamino) acetate

(2,3-dimethylbut-3-en-2-ylamino) acetate (PubChem CID 88635791) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2,3-dimethylbut-3-en-2-ylamino) acetate.

Molecular Properties

Compound Name(2,3-dimethylbut-3-en-2-ylamino) acetate
PubChem CID88635791
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2,3-dimethylbut-3-en-2-ylamino) acetate
SMILESC=C(C)C(C)(C)NOC(C)=O
InChIInChI=1S/C8H15NO2/c1-6(2)8(4,5)9-11-7(3)10/h9H,1H2,2-5H3
InChIKeyVYCUWYDZXDKZNB-UHFFFAOYSA-N
XLogP1.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.41
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

1-(2,3-dimethylbut-3-en-2-yl)-3-methylurea
CID 101061255
hydrazinyl acetate;hydrochloride
CID 172840590
hydrazinyl acetate;dihydrochloride
CID 118876353
2-(2,3-dimethylpent-2-enoyloxyamino)-2-methylpropanoic acid
CID 174397998
CID 58312499
CID 58312499
deuteride;methyl acetate;hydrate
CID 160772266
prop-1-en-2-yl acetate;hydrate
CID 175309612
acetonitrile;methyl acetate
CID 18363384
3-methylpent-1-yn-3-yl 2-methylprop-2-enoate
CID 54513206
methyl acetate;ruthenium
CID 160799101
[acetyl(2,3-dimethylbut-3-en-2-yl)amino] acetate
CID 10774372
methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium
CID 59049083

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylbut-3-en-2-ylamino) acetate?
The IUPAC name of (2,3-dimethylbut-3-en-2-ylamino) acetate (CID 88635791) is (2,3-dimethylbut-3-en-2-ylamino) acetate.
What is the SMILES notation for (2,3-dimethylbut-3-en-2-ylamino) acetate?
The canonical SMILES for (2,3-dimethylbut-3-en-2-ylamino) acetate is C=C(C)C(C)(C)NOC(C)=O.
What is the InChIKey of (2,3-dimethylbut-3-en-2-ylamino) acetate?
The InChIKey is VYCUWYDZXDKZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)8(4,5)9-11-7(3)10/h9H,1H2,2-5H3.
What are the key properties of (2,3-dimethylbut-3-en-2-ylamino) acetate?
(2,3-dimethylbut-3-en-2-ylamino) acetate has a molecular weight of 157.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylbut-3-en-2-ylamino) acetate is sourced from PubChem (CID 88635791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).