4-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]butanoic acid

C13H17NO5 — CID 61243092

IUPAC4-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]butanoic acid
SMILESCOCc1ccccc1C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C13H17NO5/c1-19-8-9-4-2-3-5-10(9)12(16)14-11(6-7-15)13(17)18/h2-5,11,15H,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyPVCQSFBOANSLCU-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.40
Rot. Bonds7

About 4-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]butanoic acid

4-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]butanoic acid (PubChem CID 61243092) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]butanoic acid
PubChem CID61243092
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name4-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]butanoic acid
SMILESCOCc1ccccc1C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C13H17NO5/c1-19-8-9-4-2-3-5-10(9)12(16)14-11(6-7-15)13(17)18/h2-5,11,15H,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyPVCQSFBOANSLCU-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]propanoate
CID 43623509
N-(2-hydroxy-1-phenylethyl)-2-(methoxymethyl)benzamide
CID 63182538
(2S)-4-hydroxy-2-[(2-methylsulfanylbenzoyl)amino]butanoic acid
CID 114004889
(2R)-4-hydroxy-2-[(2-methylsulfanylbenzoyl)amino]butanoic acid
CID 107823547
2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61242891
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(methoxymethyl)benzamide
CID 79247451
(2R)-2-[(2,3-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107823072
(2R)-2-[(2-ethylsulfonylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822726
2-(methoxymethyl)-N-methylbenzamide
CID 60753373
2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid
CID 55076619
4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid
CID 61243996
(2R)-2-[[2-(difluoromethylsulfanyl)benzoyl]amino]-4-hydroxybutanoic acid
CID 107823709

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]butanoic acid (CID 61243092) is 4-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]butanoic acid is COCc1ccccc1C(=O)NC(CCO)C(=O)O.
What is the InChIKey of 4-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]butanoic acid?
The InChIKey is PVCQSFBOANSLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-19-8-9-4-2-3-5-10(9)12(16)14-11(6-7-15)13(17)18/h2-5,11,15H,6-8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 4-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]butanoic acid?
4-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]butanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]butanoic acid is sourced from PubChem (CID 61243092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).