1-aminoethyl 2-methyl-2-prop-2-enylpent-4-enoate

C11H19NO2 — CID 174488655

IUPAC1-aminoethyl 2-methyl-2-prop-2-enylpent-4-enoate
SMILESC=CCC(C)(CC=C)C(=O)OC(C)N
InChIInChI=1S/C11H19NO2/c1-5-7-11(4,8-6-2)10(13)14-9(3)12/h5-6,9H,1-2,7-8,12H2,3-4H3
InChIKeyKMTGDBPJUUEKSR-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.99
Rot. Bonds6

About 1-aminoethyl 2-methyl-2-prop-2-enylpent-4-enoate

1-aminoethyl 2-methyl-2-prop-2-enylpent-4-enoate (PubChem CID 174488655) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-aminoethyl 2-methyl-2-prop-2-enylpent-4-enoate.

Molecular Properties

Compound Name1-aminoethyl 2-methyl-2-prop-2-enylpent-4-enoate
PubChem CID174488655
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-aminoethyl 2-methyl-2-prop-2-enylpent-4-enoate
SMILESC=CCC(C)(CC=C)C(=O)OC(C)N
InChIInChI=1S/C11H19NO2/c1-5-7-11(4,8-6-2)10(13)14-9(3)12/h5-6,9H,1-2,7-8,12H2,3-4H3
InChIKeyKMTGDBPJUUEKSR-UHFFFAOYSA-N
XLogP1.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxypropyl 2-methyl-2-prop-2-enylpent-4-enoate
CID 174488664
methyl 2-(hydroxymethyl)-2-methylpent-4-enoate
CID 18728417
methyl 2-ethyl-2-methylpent-4-enoate
CID 14714437
ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299649
ethyl (2S)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299650
methyl (2S)-2-amino-2-methylpent-4-enoate
CID 10261200
ethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate
CID 101058403
3,3-dimethylhex-5-en-2-amine
CID 130019272
prop-2-enyl 2-aminopropanoate
CID 91515395
pent-4-en-2-yl 2,2,2-triaminoacetate
CID 173458415
ethyl 2-amino-2-methylpent-4-enoate
CID 10103394
1-aminoethyl 2,2,3,3,3-pentafluoropropanoate
CID 175224554

Frequently Asked Questions

What is the IUPAC name of 1-aminoethyl 2-methyl-2-prop-2-enylpent-4-enoate?
The IUPAC name of 1-aminoethyl 2-methyl-2-prop-2-enylpent-4-enoate (CID 174488655) is 1-aminoethyl 2-methyl-2-prop-2-enylpent-4-enoate.
What is the SMILES notation for 1-aminoethyl 2-methyl-2-prop-2-enylpent-4-enoate?
The canonical SMILES for 1-aminoethyl 2-methyl-2-prop-2-enylpent-4-enoate is C=CCC(C)(CC=C)C(=O)OC(C)N.
What is the InChIKey of 1-aminoethyl 2-methyl-2-prop-2-enylpent-4-enoate?
The InChIKey is KMTGDBPJUUEKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-7-11(4,8-6-2)10(13)14-9(3)12/h5-6,9H,1-2,7-8,12H2,3-4H3.
What are the key properties of 1-aminoethyl 2-methyl-2-prop-2-enylpent-4-enoate?
1-aminoethyl 2-methyl-2-prop-2-enylpent-4-enoate has a molecular weight of 197.28 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethyl 2-methyl-2-prop-2-enylpent-4-enoate is sourced from PubChem (CID 174488655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).