4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid

C15H22N2O3 — CID 97269726

IUPAC4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid
SMILESCc1ccc([C@H](C(=O)NCCCC(=O)O)N(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-11-6-8-12(9-7-11)14(17(2)3)15(20)16-10-4-5-13(18)19/h6-9,14H,4-5,10H2,1-3H3,(H,16,20)(H,18,19)/t14-/m1/s1
InChIKeyFWXCDQLMYJYVBY-CQSZACIVSA-N
MW278.35 g/mol
LogP1.58
Rot. Bonds7

About 4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid

4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid (PubChem CID 97269726) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid
PubChem CID97269726
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid
SMILESCc1ccc([C@H](C(=O)NCCCC(=O)O)N(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-11-6-8-12(9-7-11)14(17(2)3)15(20)16-10-4-5-13(18)19/h6-9,14H,4-5,10H2,1-3H3,(H,16,20)(H,18,19)/t14-/m1/s1
InChIKeyFWXCDQLMYJYVBY-CQSZACIVSA-N
XLogP1.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 72902135
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide
CID 97126387
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 97136296
2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide
CID 72904212
(2R)-2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 97200456
N-butyl-2-[methoxy(methyl)amino]-2-(4-methylphenyl)acetamide
CID 11850181
2-(dimethylamino)-N-[(2,6-dimethyl-4-pyridinyl)methyl]-2-(4-methylphenyl)acetamide
CID 72873453
2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid
CID 72842259
2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 72844365
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 136829812
4-[[methyl-[1-(4-methylphenyl)propan-2-yl]carbamoyl]amino]butanoic acid
CID 122023178
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 97202624

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid?
The IUPAC name of 4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid (CID 97269726) is 4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid is Cc1ccc([C@H](C(=O)NCCCC(=O)O)N(C)C)cc1.
What is the InChIKey of 4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid?
The InChIKey is FWXCDQLMYJYVBY-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-6-8-12(9-7-11)14(17(2)3)15(20)16-10-4-5-13(18)19/h6-9,14H,4-5,10H2,1-3H3,(H,16,20)(H,18,19)/t14-/m1/s1.
What are the key properties of 4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid?
4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid is sourced from PubChem (CID 97269726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).