2-(3-acetamidopropylamino)-2-(4-methylphenyl)acetic acid

C14H20N2O3 — CID 84751109

IUPAC2-(3-acetamidopropylamino)-2-(4-methylphenyl)acetic acid
SMILESCC(=O)NCCCNC(C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C14H20N2O3/c1-10-4-6-12(7-5-10)13(14(18)19)16-9-3-8-15-11(2)17/h4-7,13,16H,3,8-9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeySONLUJCAMDTSHZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.24
Rot. Bonds7

About 2-(3-acetamidopropylamino)-2-(4-methylphenyl)acetic acid

2-(3-acetamidopropylamino)-2-(4-methylphenyl)acetic acid (PubChem CID 84751109) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(3-acetamidopropylamino)-2-(4-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-acetamidopropylamino)-2-(4-methylphenyl)acetic acid
PubChem CID84751109
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(3-acetamidopropylamino)-2-(4-methylphenyl)acetic acid
SMILESCC(=O)NCCCNC(C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C14H20N2O3/c1-10-4-6-12(7-5-10)13(14(18)19)16-9-3-8-15-11(2)17/h4-7,13,16H,3,8-9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeySONLUJCAMDTSHZ-UHFFFAOYSA-N
XLogP1.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-acetamidopropylamino)-2-(4-methylsulfanylphenyl)acetic acid
CID 84746684
2-(3-acetamidopropylamino)-2-(4-nitrophenyl)acetic acid
CID 84747170
N-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide
CID 82312351
2-(2-acetamidoethylamino)-2-(4-chlorophenyl)acetic acid
CID 82344881
N-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide
CID 82312288
N-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]acetamide
CID 28684626
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129
2-(butylamino)-2-(4-ethylphenyl)acetic acid
CID 84747252
2-[5-[[carboxy(phenyl)methyl]amino]pentylamino]-2-phenylacetic acid;hydrobromide
CID 54603034
2-[7-[[carboxy(phenyl)methyl]amino]heptylamino]-2-phenylacetic acid;hydrobromide
CID 54599011
(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidopropylamino)-2-(4-methylphenyl)acetic acid?
The IUPAC name of 2-(3-acetamidopropylamino)-2-(4-methylphenyl)acetic acid (CID 84751109) is 2-(3-acetamidopropylamino)-2-(4-methylphenyl)acetic acid.
What is the SMILES notation for 2-(3-acetamidopropylamino)-2-(4-methylphenyl)acetic acid?
The canonical SMILES for 2-(3-acetamidopropylamino)-2-(4-methylphenyl)acetic acid is CC(=O)NCCCNC(C(=O)O)c1ccc(C)cc1.
What is the InChIKey of 2-(3-acetamidopropylamino)-2-(4-methylphenyl)acetic acid?
The InChIKey is SONLUJCAMDTSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-4-6-12(7-5-10)13(14(18)19)16-9-3-8-15-11(2)17/h4-7,13,16H,3,8-9H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-(3-acetamidopropylamino)-2-(4-methylphenyl)acetic acid?
2-(3-acetamidopropylamino)-2-(4-methylphenyl)acetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidopropylamino)-2-(4-methylphenyl)acetic acid is sourced from PubChem (CID 84751109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).