1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid

C12H13NO4 — CID 82826865

IUPAC1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid
SMILESCc1c(O)cccc1C(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C12H13NO4/c1-7-8(3-2-4-9(7)14)10(15)13-12(5-6-12)11(16)17/h2-4,14H,5-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyVYYXDNBVMZFDIN-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.05
Rot. Bonds3

About 1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid

1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 82826865) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid
PubChem CID82826865
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid
SMILESCc1c(O)cccc1C(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C12H13NO4/c1-7-8(3-2-4-9(7)14)10(15)13-12(5-6-12)11(16)17/h2-4,14H,5-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyVYYXDNBVMZFDIN-UHFFFAOYSA-N
XLogP1.05
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-hydroxy-2-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 82826795
1-[(2,3-dihydroxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 114343273
2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 82826485
4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 115291380
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43341402
1-[(3-chloro-2-fluorobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 81266250
3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103873632
4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 43341470
4-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 82809123
1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164018
1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid
CID 106500330

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid (CID 82826865) is 1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid is Cc1c(O)cccc1C(=O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is VYYXDNBVMZFDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-7-8(3-2-4-9(7)14)10(15)13-12(5-6-12)11(16)17/h2-4,14H,5-6H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid?
1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82826865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).