2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid

C13H17NO5 — CID 107687977

IUPAC2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1c(O)cccc1O
InChIInChI=1S/C13H17NO5/c1-8(2)6-14(7-11(17)18)13(19)12-9(15)4-3-5-10(12)16/h3-5,8,15-16H,6-7H2,1-2H3,(H,17,18)
InChIKeyOCIHFVRXGDZFEH-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.28
Rot. Bonds5

About 2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid

2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 107687977) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
PubChem CID107687977
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1c(O)cccc1O
InChIInChI=1S/C13H17NO5/c1-8(2)6-14(7-11(17)18)13(19)12-9(15)4-3-5-10(12)16/h3-5,8,15-16H,6-7H2,1-2H3,(H,17,18)
InChIKeyOCIHFVRXGDZFEH-UHFFFAOYSA-N
XLogP1.28
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,3-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 114343332
2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 55133359
2-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]acetic acid
CID 120686044
2-[2-methylpropyl-(1-propan-2-ylpyrrole-2-carbonyl)amino]acetic acid
CID 63070679
2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066316
N-(2-aminopropyl)-2,6-dihydroxy-N-methylbenzamide
CID 107691371
2-[(4-methyl-1,2-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 66335852
2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63071857
2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid
CID 119193195
N-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide
CID 107689061
2-[2-hydroxy-N-(2-methylpropyl)anilino]acetic acid
CID 138423714
2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62034804

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid (CID 107687977) is 2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)c1c(O)cccc1O.
What is the InChIKey of 2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is OCIHFVRXGDZFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8(2)6-14(7-11(17)18)13(19)12-9(15)4-3-5-10(12)16/h3-5,8,15-16H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid?
2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 107687977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).