methyl (Z)-2-amino-3-(2-amino-1-ethylpyrrol-3-yl)prop-2-enoate

C10H15N3O2 — CID 153402347

IUPACmethyl (Z)-2-amino-3-(2-amino-1-ethylpyrrol-3-yl)prop-2-enoate
SMILESCCn1ccc(/C=C(\N)C(=O)OC)c1N
InChIInChI=1S/C10H15N3O2/c1-3-13-5-4-7(9(13)12)6-8(11)10(14)15-2/h4-6H,3,11-12H2,1-2H3/b8-6-
InChIKeyYDBAUBUGOVMURE-VURMDHGXSA-N
MW209.25 g/mol
LogP0.56
Rot. Bonds3

About methyl (Z)-2-amino-3-(2-amino-1-ethylpyrrol-3-yl)prop-2-enoate

methyl (Z)-2-amino-3-(2-amino-1-ethylpyrrol-3-yl)prop-2-enoate (PubChem CID 153402347) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl (Z)-2-amino-3-(2-amino-1-ethylpyrrol-3-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-amino-3-(2-amino-1-ethylpyrrol-3-yl)prop-2-enoate
PubChem CID153402347
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl (Z)-2-amino-3-(2-amino-1-ethylpyrrol-3-yl)prop-2-enoate
SMILESCCn1ccc(/C=C(\N)C(=O)OC)c1N
InChIInChI=1S/C10H15N3O2/c1-3-13-5-4-7(9(13)12)6-8(11)10(14)15-2/h4-6H,3,11-12H2,1-2H3/b8-6-
InChIKeyYDBAUBUGOVMURE-VURMDHGXSA-N
XLogP0.56
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-amino-3-(2-amino-1-ethylpyrrol-3-yl)prop-2-enoate?
The IUPAC name of methyl (Z)-2-amino-3-(2-amino-1-ethylpyrrol-3-yl)prop-2-enoate (CID 153402347) is methyl (Z)-2-amino-3-(2-amino-1-ethylpyrrol-3-yl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-amino-3-(2-amino-1-ethylpyrrol-3-yl)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-amino-3-(2-amino-1-ethylpyrrol-3-yl)prop-2-enoate is CCn1ccc(/C=C(\N)C(=O)OC)c1N.
What is the InChIKey of methyl (Z)-2-amino-3-(2-amino-1-ethylpyrrol-3-yl)prop-2-enoate?
The InChIKey is YDBAUBUGOVMURE-VURMDHGXSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-13-5-4-7(9(13)12)6-8(11)10(14)15-2/h4-6H,3,11-12H2,1-2H3/b8-6-.
What are the key properties of methyl (Z)-2-amino-3-(2-amino-1-ethylpyrrol-3-yl)prop-2-enoate?
methyl (Z)-2-amino-3-(2-amino-1-ethylpyrrol-3-yl)prop-2-enoate has a molecular weight of 209.25 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-amino-3-(2-amino-1-ethylpyrrol-3-yl)prop-2-enoate is sourced from PubChem (CID 153402347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).