methyl 2-amino-5-(1-propan-2-ylcyclopropyl)pent-3-enoate

C12H21NO2 — CID 57242698

IUPACmethyl 2-amino-5-(1-propan-2-ylcyclopropyl)pent-3-enoate
SMILESCOC(=O)C(N)C=CCC1(C(C)C)CC1
InChIInChI=1S/C12H21NO2/c1-9(2)12(7-8-12)6-4-5-10(13)11(14)15-3/h4-5,9-10H,6-8,13H2,1-3H3
InChIKeyJSLZNMGSVBUQRY-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.87
Rot. Bonds5

About methyl 2-amino-5-(1-propan-2-ylcyclopropyl)pent-3-enoate

methyl 2-amino-5-(1-propan-2-ylcyclopropyl)pent-3-enoate (PubChem CID 57242698) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is methyl 2-amino-5-(1-propan-2-ylcyclopropyl)pent-3-enoate.

Molecular Properties

Compound Namemethyl 2-amino-5-(1-propan-2-ylcyclopropyl)pent-3-enoate
PubChem CID57242698
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namemethyl 2-amino-5-(1-propan-2-ylcyclopropyl)pent-3-enoate
SMILESCOC(=O)C(N)C=CCC1(C(C)C)CC1
InChIInChI=1S/C12H21NO2/c1-9(2)12(7-8-12)6-4-5-10(13)11(14)15-3/h4-5,9-10H,6-8,13H2,1-3H3
InChIKeyJSLZNMGSVBUQRY-UHFFFAOYSA-N
XLogP1.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(1-propan-2-ylcyclopropyl)pent-3-enoate?
The IUPAC name of methyl 2-amino-5-(1-propan-2-ylcyclopropyl)pent-3-enoate (CID 57242698) is methyl 2-amino-5-(1-propan-2-ylcyclopropyl)pent-3-enoate.
What is the SMILES notation for methyl 2-amino-5-(1-propan-2-ylcyclopropyl)pent-3-enoate?
The canonical SMILES for methyl 2-amino-5-(1-propan-2-ylcyclopropyl)pent-3-enoate is COC(=O)C(N)C=CCC1(C(C)C)CC1.
What is the InChIKey of methyl 2-amino-5-(1-propan-2-ylcyclopropyl)pent-3-enoate?
The InChIKey is JSLZNMGSVBUQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)12(7-8-12)6-4-5-10(13)11(14)15-3/h4-5,9-10H,6-8,13H2,1-3H3.
What are the key properties of methyl 2-amino-5-(1-propan-2-ylcyclopropyl)pent-3-enoate?
methyl 2-amino-5-(1-propan-2-ylcyclopropyl)pent-3-enoate has a molecular weight of 211.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(1-propan-2-ylcyclopropyl)pent-3-enoate is sourced from PubChem (CID 57242698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).