(2R)-2-[[3-methoxy-4-(2-methylpropoxy)benzoyl]amino]propanoic acid

C15H21NO5 — CID 119369773

IUPAC(2R)-2-[[3-methoxy-4-(2-methylpropoxy)benzoyl]amino]propanoic acid
SMILESCOc1cc(C(=O)N[C@H](C)C(=O)O)ccc1OCC(C)C
InChIInChI=1S/C15H21NO5/c1-9(2)8-21-12-6-5-11(7-13(12)20-4)14(17)16-10(3)15(18)19/h5-7,9-10H,8H2,1-4H3,(H,16,17)(H,18,19)/t10-/m1/s1
InChIKeyTZOSAQBWCOPYGS-SNVBAGLBSA-N
MW295.34 g/mol
LogP1.93
Rot. Bonds7

About (2R)-2-[[3-methoxy-4-(2-methylpropoxy)benzoyl]amino]propanoic acid

(2R)-2-[[3-methoxy-4-(2-methylpropoxy)benzoyl]amino]propanoic acid (PubChem CID 119369773) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2R)-2-[[3-methoxy-4-(2-methylpropoxy)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-methoxy-4-(2-methylpropoxy)benzoyl]amino]propanoic acid
PubChem CID119369773
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name(2R)-2-[[3-methoxy-4-(2-methylpropoxy)benzoyl]amino]propanoic acid
SMILESCOc1cc(C(=O)N[C@H](C)C(=O)O)ccc1OCC(C)C
InChIInChI=1S/C15H21NO5/c1-9(2)8-21-12-6-5-11(7-13(12)20-4)14(17)16-10(3)15(18)19/h5-7,9-10H,8H2,1-4H3,(H,16,17)(H,18,19)/t10-/m1/s1
InChIKeyTZOSAQBWCOPYGS-SNVBAGLBSA-N
XLogP1.93
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid
CID 43092046
(2S)-2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119237902
(2S)-2-[(4-chloro-3-methoxybenzoyl)amino]propanoic acid
CID 120525982
(2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
CID 81283790
2-[(4-chloro-3-methoxybenzoyl)amino]propanoic acid
CID 120523671
3-methoxy-4-(2-methylpropoxy)-N-(1-pyridin-2-ylethyl)benzamide
CID 112758953
(2S)-2-[(3,4-dimethoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 107822287
3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide
CID 82070404
3-methoxy-N-[2-(methylamino)propyl]-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120829798
N-(1-aminohexan-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide;hydrochloride
CID 119666426
2-[(3-methoxy-4-nitrobenzoyl)amino]propanoic acid
CID 83767983
N-(2,5-dimethylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide
CID 112759226

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-methoxy-4-(2-methylpropoxy)benzoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[3-methoxy-4-(2-methylpropoxy)benzoyl]amino]propanoic acid (CID 119369773) is (2R)-2-[[3-methoxy-4-(2-methylpropoxy)benzoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[3-methoxy-4-(2-methylpropoxy)benzoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[3-methoxy-4-(2-methylpropoxy)benzoyl]amino]propanoic acid is COc1cc(C(=O)N[C@H](C)C(=O)O)ccc1OCC(C)C.
What is the InChIKey of (2R)-2-[[3-methoxy-4-(2-methylpropoxy)benzoyl]amino]propanoic acid?
The InChIKey is TZOSAQBWCOPYGS-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H21NO5/c1-9(2)8-21-12-6-5-11(7-13(12)20-4)14(17)16-10(3)15(18)19/h5-7,9-10H,8H2,1-4H3,(H,16,17)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[[3-methoxy-4-(2-methylpropoxy)benzoyl]amino]propanoic acid?
(2R)-2-[[3-methoxy-4-(2-methylpropoxy)benzoyl]amino]propanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-methoxy-4-(2-methylpropoxy)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119369773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).