2-[2-methoxyethyl-[3-[(4-nitrobenzoyl)amino]propanoyl]amino]acetic acid

C15H19N3O7 — CID 119188821

IUPAC2-[2-methoxyethyl-[3-[(4-nitrobenzoyl)amino]propanoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H19N3O7/c1-25-9-8-17(10-14(20)21)13(19)6-7-16-15(22)11-2-4-12(5-3-11)18(23)24/h2-5H,6-10H2,1H3,(H,16,22)(H,20,21)
InChIKeyIFOJNHMUARODME-UHFFFAOYSA-N
MW353.33 g/mol
LogP0.27
Rot. Bonds10

About 2-[2-methoxyethyl-[3-[(4-nitrobenzoyl)amino]propanoyl]amino]acetic acid

2-[2-methoxyethyl-[3-[(4-nitrobenzoyl)amino]propanoyl]amino]acetic acid (PubChem CID 119188821) has the molecular formula C15H19N3O7 and a molecular weight of 353.33 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[3-[(4-nitrobenzoyl)amino]propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[3-[(4-nitrobenzoyl)amino]propanoyl]amino]acetic acid
PubChem CID119188821
Molecular FormulaC15H19N3O7
Molecular Weight353.33 g/mol
Exact Mass353.12
IUPAC Name2-[2-methoxyethyl-[3-[(4-nitrobenzoyl)amino]propanoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H19N3O7/c1-25-9-8-17(10-14(20)21)13(19)6-7-16-15(22)11-2-4-12(5-3-11)18(23)24/h2-5H,6-10H2,1H3,(H,16,22)(H,20,21)
InChIKeyIFOJNHMUARODME-UHFFFAOYSA-N
XLogP0.27
TPSA139.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-methoxyethyl-[3-(3-nitrophenyl)propanoyl]amino]acetic acid
CID 119348154
2-[2-methoxyethyl-(3-methyl-5-nitrobenzoyl)amino]acetic acid
CID 115736036
2-[3-[(4-nitrobenzoyl)amino]propanoylamino]acetic acid
CID 119171145
propyl 3-[(4-nitrobenzoyl)amino]propanoate
CID 9265621
N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide
CID 17204997
2-[2-methoxyethyl-[2-(3-nitrophenoxy)acetyl]amino]acetic acid
CID 119188944
N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-4-nitrobenzamide
CID 9468439
2-[2-methoxyethyl-(5-nitro-1H-indole-3-carbonyl)amino]acetic acid
CID 119189413
methyl 3-[2-[(4-nitrobenzoyl)amino]ethylamino]propanoate
CID 59803620
methyl 2-[3-[(4-nitrobenzoyl)amino]propanoylamino]propanoate
CID 52988701
2-[2-methoxyethyl-(5-nitro-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 119189388
N-[3-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-3-oxopropyl]-4-nitrobenzamide
CID 24982594

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[3-[(4-nitrobenzoyl)amino]propanoyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[3-[(4-nitrobenzoyl)amino]propanoyl]amino]acetic acid (CID 119188821) is 2-[2-methoxyethyl-[3-[(4-nitrobenzoyl)amino]propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[3-[(4-nitrobenzoyl)amino]propanoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[3-[(4-nitrobenzoyl)amino]propanoyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[2-methoxyethyl-[3-[(4-nitrobenzoyl)amino]propanoyl]amino]acetic acid?
The InChIKey is IFOJNHMUARODME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O7/c1-25-9-8-17(10-14(20)21)13(19)6-7-16-15(22)11-2-4-12(5-3-11)18(23)24/h2-5H,6-10H2,1H3,(H,16,22)(H,20,21).
What are the key properties of 2-[2-methoxyethyl-[3-[(4-nitrobenzoyl)amino]propanoyl]amino]acetic acid?
2-[2-methoxyethyl-[3-[(4-nitrobenzoyl)amino]propanoyl]amino]acetic acid has a molecular weight of 353.33 g/mol, XLogP of 0.27, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[3-[(4-nitrobenzoyl)amino]propanoyl]amino]acetic acid is sourced from PubChem (CID 119188821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).