2-methyl-2-(3-phenylprop-2-ynylamino)pentanoic acid

C15H19NO2 — CID 62338853

IUPAC2-methyl-2-(3-phenylprop-2-ynylamino)pentanoic acid
SMILESCCCC(C)(NCC#Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H19NO2/c1-3-11-15(2,14(17)18)16-12-7-10-13-8-5-4-6-9-13/h4-6,8-9,16H,3,11-12H2,1-2H3,(H,17,18)
InChIKeyJVNZNJZYCYGLGW-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.27
Rot. Bonds5

About 2-methyl-2-(3-phenylprop-2-ynylamino)pentanoic acid

2-methyl-2-(3-phenylprop-2-ynylamino)pentanoic acid (PubChem CID 62338853) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-methyl-2-(3-phenylprop-2-ynylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-phenylprop-2-ynylamino)pentanoic acid
PubChem CID62338853
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-methyl-2-(3-phenylprop-2-ynylamino)pentanoic acid
SMILESCCCC(C)(NCC#Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H19NO2/c1-3-11-15(2,14(17)18)16-12-7-10-13-8-5-4-6-9-13/h4-6,8-9,16H,3,11-12H2,1-2H3,(H,17,18)
InChIKeyJVNZNJZYCYGLGW-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-2-methyl-2-(3-phenylprop-2-ynylamino)propanoic acid
CID 79788692
2-anilino-2-methylpentanoic acid
CID 60992039
2-methyl-2-(3-phenylprop-2-ynylamino)butan-1-ol
CID 64549964
2-methoxycarbonyl-2-methyl-5-phenylpent-4-ynoic acid
CID 114899644
2-[(1,3-dioxoisoindol-2-yl)methylamino]-2-methylpentanoic acid
CID 43619383
4-(3-phenylprop-2-ynylamino)benzoic acid
CID 13017537
2-(2-ethylanilino)-2-methylpentanoic acid
CID 114992150
2-methyl-2-(3-phenylprop-2-ynylsulfanyl)propanoic acid
CID 81222643
2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619758
2-(3-phenylprop-2-ynylamino)pentanoic acid
CID 55060710
2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid
CID 43619222
2-methyl-2-[(3-methylphenyl)methylamino]pentanoic acid
CID 43619529

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-phenylprop-2-ynylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(3-phenylprop-2-ynylamino)pentanoic acid (CID 62338853) is 2-methyl-2-(3-phenylprop-2-ynylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(3-phenylprop-2-ynylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(3-phenylprop-2-ynylamino)pentanoic acid is CCCC(C)(NCC#Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-methyl-2-(3-phenylprop-2-ynylamino)pentanoic acid?
The InChIKey is JVNZNJZYCYGLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-11-15(2,14(17)18)16-12-7-10-13-8-5-4-6-9-13/h4-6,8-9,16H,3,11-12H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-2-(3-phenylprop-2-ynylamino)pentanoic acid?
2-methyl-2-(3-phenylprop-2-ynylamino)pentanoic acid has a molecular weight of 245.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-phenylprop-2-ynylamino)pentanoic acid is sourced from PubChem (CID 62338853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).