3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid

C13H17NO5 — CID 3102729

IUPAC3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid
SMILESCCCOc1ccccc1C(=O)NC(CO)C(=O)O
InChIInChI=1S/C13H17NO5/c1-2-7-19-11-6-4-3-5-9(11)12(16)14-10(8-15)13(17)18/h3-6,10,15H,2,7-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyTZHNWDHTYUDXBQ-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.65
Rot. Bonds7

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

3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid (PubChem CID 3102729) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid
PubChem CID3102729
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid
SMILESCCCOc1ccccc1C(=O)NC(CO)C(=O)O
InChIInChI=1S/C13H17NO5/c1-2-7-19-11-6-4-3-5-9(11)12(16)14-10(8-15)13(17)18/h3-6,10,15H,2,7-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyTZHNWDHTYUDXBQ-UHFFFAOYSA-N
XLogP0.65
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid
CID 3102731
N-butan-2-yl-2-propoxybenzamide
CID 71581291
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
(2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid
CID 119364108
(2S)-4-amino-2-[(2-ethoxybenzoyl)amino]-4-oxobutanoic acid
CID 30120326
(2S)-2-[(2-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 107564143
(2S)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]propanoic acid
CID 119237944
(2S)-2-[(2-ethoxybenzoyl)amino]-4-sulfanylbutanoic acid
CID 142708981
2-propoxy-N-propylbenzamide
CID 58831728
ethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate
CID 43877682
3-hydroxy-2-[[2-(tribromomethylsulfonyl)benzoyl]amino]propanoic acid
CID 18717058
N-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide
CID 17151255

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid (CID 3102729) is 3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid is CCCOc1ccccc1C(=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid?
The InChIKey is TZHNWDHTYUDXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-2-7-19-11-6-4-3-5-9(11)12(16)14-10(8-15)13(17)18/h3-6,10,15H,2,7-8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid?
3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 3102729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).