(2R)-3-(2,2-dimethylpropanoylamino)-2-(3-methoxyphenyl)propanoic acid

C15H21NO4 — CID 97262837

IUPAC(2R)-3-(2,2-dimethylpropanoylamino)-2-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc([C@H](CNC(=O)C(C)(C)C)C(=O)O)c1
InChIInChI=1S/C15H21NO4/c1-15(2,3)14(19)16-9-12(13(17)18)10-6-5-7-11(8-10)20-4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKeyIHOMDVLIYWINNT-LBPRGKRZSA-N
MW279.34 g/mol
LogP2.03
Rot. Bonds5

About (2R)-3-(2,2-dimethylpropanoylamino)-2-(3-methoxyphenyl)propanoic acid

(2R)-3-(2,2-dimethylpropanoylamino)-2-(3-methoxyphenyl)propanoic acid (PubChem CID 97262837) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2R)-3-(2,2-dimethylpropanoylamino)-2-(3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(2,2-dimethylpropanoylamino)-2-(3-methoxyphenyl)propanoic acid
PubChem CID97262837
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(2R)-3-(2,2-dimethylpropanoylamino)-2-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc([C@H](CNC(=O)C(C)(C)C)C(=O)O)c1
InChIInChI=1S/C15H21NO4/c1-15(2,3)14(19)16-9-12(13(17)18)10-6-5-7-11(8-10)20-4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKeyIHOMDVLIYWINNT-LBPRGKRZSA-N
XLogP2.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,2-dimethylpropanamide
CID 134026624
4-amino-2-(3-methoxyphenyl)-4-oxobutanoic acid
CID 141007256
2-(3-methoxyphenyl)-3-sulfanylpropanoic acid
CID 117243551
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
(2R)-2-(3-methoxyphenyl)pent-4-enoic acid
CID 124706268
3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid
CID 22315267
5-amino-2-(3-methoxyphenyl)pentanoic acid
CID 112511837
2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 82141396
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
(2S)-4-[di(propan-2-yl)amino]-2-(3-methoxyphenyl)butanoic acid
CID 27282104
3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid
CID 119255048

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,2-dimethylpropanoylamino)-2-(3-methoxyphenyl)propanoic acid?
The IUPAC name of (2R)-3-(2,2-dimethylpropanoylamino)-2-(3-methoxyphenyl)propanoic acid (CID 97262837) is (2R)-3-(2,2-dimethylpropanoylamino)-2-(3-methoxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-3-(2,2-dimethylpropanoylamino)-2-(3-methoxyphenyl)propanoic acid?
The canonical SMILES for (2R)-3-(2,2-dimethylpropanoylamino)-2-(3-methoxyphenyl)propanoic acid is COc1cccc([C@H](CNC(=O)C(C)(C)C)C(=O)O)c1.
What is the InChIKey of (2R)-3-(2,2-dimethylpropanoylamino)-2-(3-methoxyphenyl)propanoic acid?
The InChIKey is IHOMDVLIYWINNT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2,3)14(19)16-9-12(13(17)18)10-6-5-7-11(8-10)20-4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1.
What are the key properties of (2R)-3-(2,2-dimethylpropanoylamino)-2-(3-methoxyphenyl)propanoic acid?
(2R)-3-(2,2-dimethylpropanoylamino)-2-(3-methoxyphenyl)propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2,2-dimethylpropanoylamino)-2-(3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 97262837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).