4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbenzoic acid

C12H15N3O4 — CID 60851394

IUPAC4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)CNC(=O)CN
InChIInChI=1S/C12H15N3O4/c1-7-4-8(12(18)19)2-3-9(7)15-11(17)6-14-10(16)5-13/h2-4H,5-6,13H2,1H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyWFUZATVOYFBARI-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.29
Rot. Bonds5

About 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbenzoic acid

4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbenzoic acid (PubChem CID 60851394) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbenzoic acid
PubChem CID60851394
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)CNC(=O)CN
InChIInChI=1S/C12H15N3O4/c1-7-4-8(12(18)19)2-3-9(7)15-11(17)6-14-10(16)5-13/h2-4H,5-6,13H2,1H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyWFUZATVOYFBARI-UHFFFAOYSA-N
XLogP-0.29
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(2-methylanilino)-2-oxoethyl]acetamide
CID 60848997
4-(4-carboxybutanoylamino)-3-methylbenzoic acid
CID 2223782
3-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-4-methylbenzoic acid
CID 119219462
4-[[2-(carboxymethylsulfanyl)acetyl]amino]-3-methylbenzoic acid
CID 113427708
2-amino-N-(4-tert-butyl-2-methylphenyl)acetamide
CID 82494146
4-[(2-amino-2-ethylbutanoyl)amino]-3-methylbenzoic acid
CID 79810418
4-(henicosanoylamino)-3-methylbenzoic acid
CID 12800016
2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 54928059
3-methyl-4-(propylcarbamoylamino)benzoic acid
CID 28785867
3-methyl-4-[3-(4-methylphenyl)propanoylamino]benzoic acid
CID 17341392
4-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-3-methylbenzoic acid
CID 61198570
3-methyl-4-(3-oxobutanoylamino)benzamide
CID 61251334

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbenzoic acid?
The IUPAC name of 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbenzoic acid (CID 60851394) is 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1NC(=O)CNC(=O)CN.
What is the InChIKey of 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbenzoic acid?
The InChIKey is WFUZATVOYFBARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7-4-8(12(18)19)2-3-9(7)15-11(17)6-14-10(16)5-13/h2-4H,5-6,13H2,1H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbenzoic acid?
4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbenzoic acid has a molecular weight of 265.27 g/mol, XLogP of -0.29, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbenzoic acid is sourced from PubChem (CID 60851394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).