methyl 2-phenyl-2-(prop-2-ynylamino)pentanoate

C15H19NO2 — CID 62364955

IUPACmethyl 2-phenyl-2-(prop-2-ynylamino)pentanoate
SMILESC#CCNC(CCC)(C(=O)OC)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-4-11-15(14(17)18-3,16-12-5-2)13-9-7-6-8-10-13/h2,6-10,16H,4,11-12H2,1,3H3
InChIKeyPCFTVPQSRZILSH-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.08
Rot. Bonds6

About methyl 2-phenyl-2-(prop-2-ynylamino)pentanoate

methyl 2-phenyl-2-(prop-2-ynylamino)pentanoate (PubChem CID 62364955) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 2-phenyl-2-(prop-2-ynylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-(prop-2-ynylamino)pentanoate
PubChem CID62364955
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namemethyl 2-phenyl-2-(prop-2-ynylamino)pentanoate
SMILESC#CCNC(CCC)(C(=O)OC)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-4-11-15(14(17)18-3,16-12-5-2)13-9-7-6-8-10-13/h2,6-10,16H,4,11-12H2,1,3H3
InChIKeyPCFTVPQSRZILSH-UHFFFAOYSA-N
XLogP2.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-methyl-2-phenyl-2-(prop-2-ynylamino)pentanoate
CID 62365289
methyl 2-(4-methoxyphenyl)-2-(prop-2-ynylamino)butanoate
CID 62365811
methyl 2-(4-bromophenyl)-2-(prop-2-ynylamino)butanoate
CID 62365459
2-(2-methoxyethylamino)-2-phenylpentanamide
CID 55084877
methyl 2-(prop-2-ynylamino)-2-pyridin-3-ylpropanoate
CID 62365284
methyl 2-(ethylamino)-4-(1-hydroxypropan-2-ylsulfanyl)-2-phenylbutanoate
CID 116694848
methyl 2-phenyl-2-(propan-2-ylamino)butanoate
CID 60786838
methyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate
CID 62367199
methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate
CID 116694335
methyl 2-(benzylamino)-2,3-diphenylpropanoate
CID 113225267
methyl 2-(4-propoxyphenyl)-2-(prop-2-ynylamino)propanoate
CID 62365989
2-(cyclopropylmethylamino)-2-phenylpentanamide
CID 54890154

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-(prop-2-ynylamino)pentanoate?
The IUPAC name of methyl 2-phenyl-2-(prop-2-ynylamino)pentanoate (CID 62364955) is methyl 2-phenyl-2-(prop-2-ynylamino)pentanoate.
What is the SMILES notation for methyl 2-phenyl-2-(prop-2-ynylamino)pentanoate?
The canonical SMILES for methyl 2-phenyl-2-(prop-2-ynylamino)pentanoate is C#CCNC(CCC)(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-(prop-2-ynylamino)pentanoate?
The InChIKey is PCFTVPQSRZILSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-11-15(14(17)18-3,16-12-5-2)13-9-7-6-8-10-13/h2,6-10,16H,4,11-12H2,1,3H3.
What are the key properties of methyl 2-phenyl-2-(prop-2-ynylamino)pentanoate?
methyl 2-phenyl-2-(prop-2-ynylamino)pentanoate has a molecular weight of 245.32 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-(prop-2-ynylamino)pentanoate is sourced from PubChem (CID 62364955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).