prop-2-enyl 4-amino-2-methylpent-2-enoate

C9H15NO2 — CID 173130673

IUPACprop-2-enyl 4-amino-2-methylpent-2-enoate
SMILESC=CCOC(=O)C(C)=CC(C)N
InChIInChI=1S/C9H15NO2/c1-4-5-12-9(11)7(2)6-8(3)10/h4,6,8H,1,5,10H2,2-3H3
InChIKeyKIXNXXUJNYNEBF-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.01
Rot. Bonds4

About prop-2-enyl 4-amino-2-methylpent-2-enoate

prop-2-enyl 4-amino-2-methylpent-2-enoate (PubChem CID 173130673) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is prop-2-enyl 4-amino-2-methylpent-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl 4-amino-2-methylpent-2-enoate
PubChem CID173130673
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameprop-2-enyl 4-amino-2-methylpent-2-enoate
SMILESC=CCOC(=O)C(C)=CC(C)N
InChIInChI=1S/C9H15NO2/c1-4-5-12-9(11)7(2)6-8(3)10/h4,6,8H,1,5,10H2,2-3H3
InChIKeyKIXNXXUJNYNEBF-UHFFFAOYSA-N
XLogP1.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propyl 4-amino-2-methylpent-2-enoate
CID 173339937
prop-2-enyl 2-aminopropanoate
CID 91515395
prop-2-enyl 6-hydroxy-2-methylhept-2-enoate
CID 173239846
propan-2-yl (E)-2-prop-2-enoxybut-2-enoate
CID 25228919
2-O-(4-tert-butylperoxy-4-methylpentan-2-yl) 1-O-prop-2-enyl oxalate
CID 54483562
prop-2-enyl 2-methylpent-4-enoate
CID 59817388
2-hydroxyethyl 4-amino-2-methylhexa-2,5-dienoate
CID 57245444
prop-2-enyl 2-methylidenebutanoate
CID 12684713
2-methylbut-2-enoic acid;prop-2-enyl 2-methylprop-2-enoate
CID 173460089
prop-2-enyl 2-iminopropanoate
CID 175216018
1,1-dimethoxyethane;prop-2-enyl acetate
CID 87678916
[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate
CID 153317793

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-amino-2-methylpent-2-enoate?
The IUPAC name of prop-2-enyl 4-amino-2-methylpent-2-enoate (CID 173130673) is prop-2-enyl 4-amino-2-methylpent-2-enoate.
What is the SMILES notation for prop-2-enyl 4-amino-2-methylpent-2-enoate?
The canonical SMILES for prop-2-enyl 4-amino-2-methylpent-2-enoate is C=CCOC(=O)C(C)=CC(C)N.
What is the InChIKey of prop-2-enyl 4-amino-2-methylpent-2-enoate?
The InChIKey is KIXNXXUJNYNEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-5-12-9(11)7(2)6-8(3)10/h4,6,8H,1,5,10H2,2-3H3.
What are the key properties of prop-2-enyl 4-amino-2-methylpent-2-enoate?
prop-2-enyl 4-amino-2-methylpent-2-enoate has a molecular weight of 169.22 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-amino-2-methylpent-2-enoate is sourced from PubChem (CID 173130673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).