(2R)-3-methyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid

C16H23NO4 — CID 9157214

IUPAC(2R)-3-methyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid
SMILESCCCc1ccc(OCC(=O)N[C@@H](C(=O)O)C(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-4-5-12-6-8-13(9-7-12)21-10-14(18)17-15(11(2)3)16(19)20/h6-9,11,15H,4-5,10H2,1-3H3,(H,17,18)(H,19,20)/t15-/m1/s1
InChIKeyNUIVZUJEDIWBEW-OAHLLOKOSA-N
MW293.36 g/mol
LogP2.24
Rot. Bonds8

About (2R)-3-methyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid

(2R)-3-methyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid (PubChem CID 9157214) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (2R)-3-methyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid
PubChem CID9157214
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(2R)-3-methyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid
SMILESCCCc1ccc(OCC(=O)N[C@@H](C(=O)O)C(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-4-5-12-6-8-13(9-7-12)21-10-14(18)17-15(11(2)3)16(19)20/h6-9,11,15H,4-5,10H2,1-3H3,(H,17,18)(H,19,20)/t15-/m1/s1
InChIKeyNUIVZUJEDIWBEW-OAHLLOKOSA-N
XLogP2.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 9157390
3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoic acid
CID 3630383
(2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid
CID 9157303
2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid
CID 43239975
(2S)-2-[[2-(4-benzoylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 119359613
(2R)-3-methyl-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]butanoic acid
CID 119368130
2,3-dihydroxybutanedioic acid;bis(2-(4-propylphenoxy)acetohydrazide)
CID 19169516
2-[4-(methylaminomethyl)phenoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 106486250
(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide
CID 55944631
(2S)-3-methyl-2-[(4-propylphenyl)carbamoylamino]butanoic acid
CID 61197691
(2S)-2-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoic acid
CID 94966651
2-(4-ethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94124569

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid (CID 9157214) is (2R)-3-methyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid is CCCc1ccc(OCC(=O)N[C@@H](C(=O)O)C(C)C)cc1.
What is the InChIKey of (2R)-3-methyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid?
The InChIKey is NUIVZUJEDIWBEW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-5-12-6-8-13(9-7-12)21-10-14(18)17-15(11(2)3)16(19)20/h6-9,11,15H,4-5,10H2,1-3H3,(H,17,18)(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid?
(2R)-3-methyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid is sourced from PubChem (CID 9157214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).