2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid

C14H19NO5 — CID 66168078

IUPAC2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid
SMILESCC(C)COc1cccc(C(=O)NCC(O)C(=O)O)c1
InChIInChI=1S/C14H19NO5/c1-9(2)8-20-11-5-3-4-10(6-11)13(17)15-7-12(16)14(18)19/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyVOEAOZYRZSTQGU-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.90
Rot. Bonds7

About 2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid

2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid (PubChem CID 66168078) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid
PubChem CID66168078
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid
SMILESCC(C)COc1cccc(C(=O)NCC(O)C(=O)O)c1
InChIInChI=1S/C14H19NO5/c1-9(2)8-20-11-5-3-4-10(6-11)13(17)15-7-12(16)14(18)19/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyVOEAOZYRZSTQGU-UHFFFAOYSA-N
XLogP0.90
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958
N-(3-hydroxy-2-methylpropyl)-3-(2-methylpropoxy)benzamide
CID 65037333
(2S)-3-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]butanoic acid
CID 61136776
N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide
CID 106842963
N-(2-hydroxypropylcarbamothioyl)-3-(2-methylpropoxy)benzamide
CID 17161995
trans-(1S,2R)-2-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108732264
N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide
CID 66007075
3-(2-methylpropoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812115
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-methylpropoxy)benzamide
CID 107845536
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide
CID 120948701
3-(2-methylpropoxy)benzoyl chloride
CID 4772728
N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide
CID 112551104

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid (CID 66168078) is 2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid is CC(C)COc1cccc(C(=O)NCC(O)C(=O)O)c1.
What is the InChIKey of 2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid?
The InChIKey is VOEAOZYRZSTQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-9(2)8-20-11-5-3-4-10(6-11)13(17)15-7-12(16)14(18)19/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid?
2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid is sourced from PubChem (CID 66168078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).