2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid

C13H17NO5 — CID 60832023

IUPAC2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid
SMILESCOc1cccc(C(=O)N(CC(=O)O)C(C)C)c1O
InChIInChI=1S/C13H17NO5/c1-8(2)14(7-11(15)16)13(18)9-5-4-6-10(19-3)12(9)17/h4-6,8,17H,7H2,1-3H3,(H,15,16)
InChIKeyMVOGQYIQGJXOET-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.34
Rot. Bonds5

About 2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid

2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid (PubChem CID 60832023) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid
PubChem CID60832023
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid
SMILESCOc1cccc(C(=O)N(CC(=O)O)C(C)C)c1O
InChIInChI=1S/C13H17NO5/c1-8(2)14(7-11(15)16)13(18)9-5-4-6-10(19-3)12(9)17/h4-6,8,17H,7H2,1-3H3,(H,15,16)
InChIKeyMVOGQYIQGJXOET-UHFFFAOYSA-N
XLogP1.34
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid
CID 107433916
2-[tert-butyl-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid
CID 79266531
2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 65434755
2-[[2-(methoxymethyl)benzoyl]-propan-2-ylamino]acetic acid
CID 60832575
2-[(2-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 61181869
2-[(2-methoxy-4-nitrobenzoyl)-propan-2-ylamino]acetic acid
CID 104783267
(2-hydroxy-3-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 67681144
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
2-[(4-fluoro-3-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 81283432
2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 78924906
2-[ethyl-(2-hydroxy-3-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 62818583
N-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide
CID 114343923

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid (CID 60832023) is 2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid is COc1cccc(C(=O)N(CC(=O)O)C(C)C)c1O.
What is the InChIKey of 2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid?
The InChIKey is MVOGQYIQGJXOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8(2)14(7-11(15)16)13(18)9-5-4-6-10(19-3)12(9)17/h4-6,8,17H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid?
2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60832023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).