2-[carboxymethyl-[[2-(dimethylamino)phenyl]carbamoyl]amino]acetic acid

C13H17N3O5 — CID 106760414

IUPAC2-[carboxymethyl-[[2-(dimethylamino)phenyl]carbamoyl]amino]acetic acid
SMILESCN(C)c1ccccc1NC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C13H17N3O5/c1-15(2)10-6-4-3-5-9(10)14-13(21)16(7-11(17)18)8-12(19)20/h3-6H,7-8H2,1-2H3,(H,14,21)(H,17,18)(H,19,20)
InChIKeyZPCQUQLWCBAJNL-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.76
Rot. Bonds6

About 2-[carboxymethyl-[[2-(dimethylamino)phenyl]carbamoyl]amino]acetic acid

2-[carboxymethyl-[[2-(dimethylamino)phenyl]carbamoyl]amino]acetic acid (PubChem CID 106760414) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[carboxymethyl-[[2-(dimethylamino)phenyl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[[2-(dimethylamino)phenyl]carbamoyl]amino]acetic acid
PubChem CID106760414
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[carboxymethyl-[[2-(dimethylamino)phenyl]carbamoyl]amino]acetic acid
SMILESCN(C)c1ccccc1NC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C13H17N3O5/c1-15(2)10-6-4-3-5-9(10)14-13(21)16(7-11(17)18)8-12(19)20/h3-6H,7-8H2,1-2H3,(H,14,21)(H,17,18)(H,19,20)
InChIKeyZPCQUQLWCBAJNL-UHFFFAOYSA-N
XLogP0.76
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61195729
3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid
CID 106760433
2-[2-[2-(dimethylamino)anilino]-2-oxoethoxy]acetic acid
CID 61326887
1-[2-(dimethylamino)phenyl]-3-phenylurea
CID 110472237
1-benzyl-3-[2-(dimethylamino)phenyl]urea
CID 47202175
(2R)-2-[[2-(dimethylamino)phenyl]carbamoylamino]butanedioic acid
CID 106760427
2-[(2-amino-2-oxoethyl)-[[2-(methoxymethyl)phenyl]carbamoyl]amino]acetic acid
CID 107438314
(E)-4-[2-(dimethylamino)anilino]-4-oxobut-2-enoic acid
CID 60940677
2-[[2-(dimethylamino)phenyl]carbamoyloxy]ethyl N-[2-(dimethylamino)phenyl]carbamate;hydrochloride
CID 54599742
4-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760608
3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760605
methyl 2-[2-(dimethylamino)anilino]-2-oxoacetate
CID 106760603

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[[2-(dimethylamino)phenyl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[[2-(dimethylamino)phenyl]carbamoyl]amino]acetic acid (CID 106760414) is 2-[carboxymethyl-[[2-(dimethylamino)phenyl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[[2-(dimethylamino)phenyl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[[2-(dimethylamino)phenyl]carbamoyl]amino]acetic acid is CN(C)c1ccccc1NC(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[[2-(dimethylamino)phenyl]carbamoyl]amino]acetic acid?
The InChIKey is ZPCQUQLWCBAJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-15(2)10-6-4-3-5-9(10)14-13(21)16(7-11(17)18)8-12(19)20/h3-6H,7-8H2,1-2H3,(H,14,21)(H,17,18)(H,19,20).
What are the key properties of 2-[carboxymethyl-[[2-(dimethylamino)phenyl]carbamoyl]amino]acetic acid?
2-[carboxymethyl-[[2-(dimethylamino)phenyl]carbamoyl]amino]acetic acid has a molecular weight of 295.30 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[[2-(dimethylamino)phenyl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 106760414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).