2-[(2-amino-2-oxoethyl)-(3-anilino-3-oxopropyl)amino]acetic acid

C13H17N3O4 — CID 107440552

IUPAC2-[(2-amino-2-oxoethyl)-(3-anilino-3-oxopropyl)amino]acetic acid
SMILESNC(=O)CN(CCC(=O)Nc1ccccc1)CC(=O)O
InChIInChI=1S/C13H17N3O4/c14-11(17)8-16(9-13(19)20)7-6-12(18)15-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,17)(H,15,18)(H,19,20)
InChIKeyVLCSXRUQRPGHPY-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.11
Rot. Bonds8

About 2-[(2-amino-2-oxoethyl)-(3-anilino-3-oxopropyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(3-anilino-3-oxopropyl)amino]acetic acid (PubChem CID 107440552) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(3-anilino-3-oxopropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(3-anilino-3-oxopropyl)amino]acetic acid
PubChem CID107440552
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[(2-amino-2-oxoethyl)-(3-anilino-3-oxopropyl)amino]acetic acid
SMILESNC(=O)CN(CCC(=O)Nc1ccccc1)CC(=O)O
InChIInChI=1S/C13H17N3O4/c14-11(17)8-16(9-13(19)20)7-6-12(18)15-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,17)(H,15,18)(H,19,20)
InChIKeyVLCSXRUQRPGHPY-UHFFFAOYSA-N
XLogP-0.11
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425180
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
3-(dipropylamino)-N-phenylpropanamide
CID 52579960
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
2-[(2-amino-2-oxoethyl)-[2-(3-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 107440293
2-[(2-amino-2-oxoethyl)-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid
CID 107440146
3-[2-hydroxyethyl(propyl)amino]-N-phenylpropanamide
CID 62016603
3-[hydroxymethyl-[2-(phenylsulfamoyl)ethyl]amino]-N-phenylpropanamide
CID 90326005
3-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)amino]-N-(3-fluorophenyl)propanamide
CID 86885988
2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid
CID 63065919
3-fluoro-N-phenylpropanamide
CID 70366284
11-anilino-11-oxoundecanoic acid
CID 150341840

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(3-anilino-3-oxopropyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(3-anilino-3-oxopropyl)amino]acetic acid (CID 107440552) is 2-[(2-amino-2-oxoethyl)-(3-anilino-3-oxopropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(3-anilino-3-oxopropyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(3-anilino-3-oxopropyl)amino]acetic acid is NC(=O)CN(CCC(=O)Nc1ccccc1)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(3-anilino-3-oxopropyl)amino]acetic acid?
The InChIKey is VLCSXRUQRPGHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c14-11(17)8-16(9-13(19)20)7-6-12(18)15-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,17)(H,15,18)(H,19,20).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(3-anilino-3-oxopropyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(3-anilino-3-oxopropyl)amino]acetic acid has a molecular weight of 279.30 g/mol, XLogP of -0.11, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(3-anilino-3-oxopropyl)amino]acetic acid is sourced from PubChem (CID 107440552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).