2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid

C12H15NO4 — CID 43170851

IUPAC2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
SMILESCOCc1cccc(C(=O)NC(C)C(=O)O)c1
InChIInChI=1S/C12H15NO4/c1-8(12(15)16)13-11(14)10-5-3-4-9(6-10)7-17-2/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGMFGMCXUDXQACN-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.04
Rot. Bonds5

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

2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid (PubChem CID 43170851) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
PubChem CID43170851
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
SMILESCOCc1cccc(C(=O)NC(C)C(=O)O)c1
InChIInChI=1S/C12H15NO4/c1-8(12(15)16)13-11(14)10-5-3-4-9(6-10)7-17-2/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGMFGMCXUDXQACN-UHFFFAOYSA-N
XLogP1.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide
CID 134045690
(2S,3R)-3-hydroxy-2-[[3-(methoxymethyl)benzoyl]amino]butanoic acid
CID 104964995
(2S)-2-[[3-(methoxymethyl)benzoyl]amino]-3-methylpentanoic acid
CID 61172026
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methoxymethyl)benzamide
CID 9470580
(2S)-2-[[3-[[(1S)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571628
(2S)-4-methoxy-2-[[3-(methoxymethyl)benzoyl]amino]-4-oxobutanoic acid
CID 63306864
N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide
CID 93033627
2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid
CID 62697280
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(methoxymethyl)benzamide
CID 103798708
(2R)-2-[(3-hydroxybenzoyl)amino]propanoic acid
CID 20848017
(2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid
CID 107829854
(2S)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid
CID 61144055

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid?
The IUPAC name of 2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid (CID 43170851) is 2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid is COCc1cccc(C(=O)NC(C)C(=O)O)c1.
What is the InChIKey of 2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid?
The InChIKey is GMFGMCXUDXQACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(12(15)16)13-11(14)10-5-3-4-9(6-10)7-17-2/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid?
2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 43170851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).