methyl 3-(prop-2-ynylamino)propanoate

C7H11NO2 — CID 43242755

IUPACmethyl 3-(prop-2-ynylamino)propanoate
SMILESC#CCNCCC(=O)OC
InChIInChI=1S/C7H11NO2/c1-3-5-8-6-4-7(9)10-2/h1,8H,4-6H2,2H3
InChIKeySBKAKQCCCDVNRZ-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.23
Rot. Bonds4

About methyl 3-(prop-2-ynylamino)propanoate

methyl 3-(prop-2-ynylamino)propanoate (PubChem CID 43242755) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl 3-(prop-2-ynylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(prop-2-ynylamino)propanoate
PubChem CID43242755
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl 3-(prop-2-ynylamino)propanoate
SMILESC#CCNCCC(=O)OC
InChIInChI=1S/C7H11NO2/c1-3-5-8-6-4-7(9)10-2/h1,8H,4-6H2,2H3
InChIKeySBKAKQCCCDVNRZ-UHFFFAOYSA-N
XLogP-0.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(prop-2-ynylamino)propanoate?
The IUPAC name of methyl 3-(prop-2-ynylamino)propanoate (CID 43242755) is methyl 3-(prop-2-ynylamino)propanoate.
What is the SMILES notation for methyl 3-(prop-2-ynylamino)propanoate?
The canonical SMILES for methyl 3-(prop-2-ynylamino)propanoate is C#CCNCCC(=O)OC.
What is the InChIKey of methyl 3-(prop-2-ynylamino)propanoate?
The InChIKey is SBKAKQCCCDVNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-5-8-6-4-7(9)10-2/h1,8H,4-6H2,2H3.
What are the key properties of methyl 3-(prop-2-ynylamino)propanoate?
methyl 3-(prop-2-ynylamino)propanoate has a molecular weight of 141.17 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(prop-2-ynylamino)propanoate is sourced from PubChem (CID 43242755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).