(2R)-3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]butanoate

C17H24NO4- — CID 9157229

IUPAC(2R)-3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]butanoate
SMILESCc1cc(OCC(=O)N[C@@H](C(=O)[O-])C(C)C)ccc1C(C)C
InChIInChI=1S/C17H25NO4/c1-10(2)14-7-6-13(8-12(14)5)22-9-15(19)18-16(11(3)4)17(20)21/h6-8,10-11,16H,9H2,1-5H3,(H,18,19)(H,20,21)/p-1/t16-/m1/s1
InChIKeyTUEVQBGEBSUEBV-MRXNPFEDSA-M
MW306.38 g/mol
LogP1.39
Rot. Bonds7

About (2R)-3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]butanoate

(2R)-3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]butanoate (PubChem CID 9157229) has the molecular formula C17H24NO4- and a molecular weight of 306.38 g/mol. Its IUPAC name is (2R)-3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]butanoate.

Molecular Properties

Compound Name(2R)-3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]butanoate
PubChem CID9157229
Molecular FormulaC17H24NO4-
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name(2R)-3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]butanoate
SMILESCc1cc(OCC(=O)N[C@@H](C(=O)[O-])C(C)C)ccc1C(C)C
InChIInChI=1S/C17H25NO4/c1-10(2)14-7-6-13(8-12(14)5)22-9-15(19)18-16(11(3)4)17(20)21/h6-8,10-11,16H,9H2,1-5H3,(H,18,19)(H,20,21)/p-1/t16-/m1/s1
InChIKeyTUEVQBGEBSUEBV-MRXNPFEDSA-M
XLogP1.39
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]butanoate with MolForge

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Related Compounds

3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]pentanamide
CID 78773340
N-(1-hydroxypropan-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78857319
(2S)-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-3-methylbutanoate
CID 9157139
(2R)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-methylbutanoate
CID 9157169
(2S)-3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoate
CID 2334236
2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9170871
N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 51574808
(2S)-2-[[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylbutanoate
CID 7082355
N-cyclopropyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78759925
(2S)-3-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate
CID 9157397
N-cyclopentyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 134007945
N-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19174758

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]butanoate?
The IUPAC name of (2R)-3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]butanoate (CID 9157229) is (2R)-3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]butanoate.
What is the SMILES notation for (2R)-3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]butanoate?
The canonical SMILES for (2R)-3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]butanoate is Cc1cc(OCC(=O)N[C@@H](C(=O)[O-])C(C)C)ccc1C(C)C.
What is the InChIKey of (2R)-3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]butanoate?
The InChIKey is TUEVQBGEBSUEBV-MRXNPFEDSA-M. The full InChI is InChI=1S/C17H25NO4/c1-10(2)14-7-6-13(8-12(14)5)22-9-15(19)18-16(11(3)4)17(20)21/h6-8,10-11,16H,9H2,1-5H3,(H,18,19)(H,20,21)/p-1/t16-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]butanoate?
(2R)-3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]butanoate has a molecular weight of 306.38 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]butanoate is sourced from PubChem (CID 9157229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).