2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid

C10H12N2O3 — CID 18802501

IUPAC2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(NCC(N)=O)c(C(=O)O)c1
InChIInChI=1S/C10H12N2O3/c1-6-2-3-8(12-5-9(11)13)7(4-6)10(14)15/h2-4,12H,5H2,1H3,(H2,11,13)(H,14,15)
InChIKeyRHEITATWQINUSB-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.59
Rot. Bonds4

About 2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid

2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid (PubChem CID 18802501) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid
PubChem CID18802501
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(NCC(N)=O)c(C(=O)O)c1
InChIInChI=1S/C10H12N2O3/c1-6-2-3-8(12-5-9(11)13)7(4-6)10(14)15/h2-4,12H,5H2,1H3,(H2,11,13)(H,14,15)
InChIKeyRHEITATWQINUSB-UHFFFAOYSA-N
XLogP0.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-4-methylanilino)acetamide
CID 43349420
5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid
CID 62514277
2-(butylamino)-5-methylbenzoic acid
CID 18802498
5-methyl-2-(3-methylbutylamino)benzoic acid
CID 18802499
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-5-methylbenzoic acid
CID 113405618
2-[3-(ethylamino)propylamino]-5-methylbenzoic acid
CID 55082979
2-(cyclobutylmethylamino)-5-methylbenzoic acid
CID 62514472
5-methyl-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 104762145
5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 63830331
2-[(2-amino-2-oxoethyl)amino]-3-bromo-5-methylbenzoic acid
CID 18802739
5-methyl-2-(propan-2-ylamino)benzoic acid
CID 13064660
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methylbenzoic acid
CID 115360531

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid (CID 18802501) is 2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid is Cc1ccc(NCC(N)=O)c(C(=O)O)c1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid?
The InChIKey is RHEITATWQINUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6-2-3-8(12-5-9(11)13)7(4-6)10(14)15/h2-4,12H,5H2,1H3,(H2,11,13)(H,14,15).
What are the key properties of 2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid?
2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid has a molecular weight of 208.22 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid is sourced from PubChem (CID 18802501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).