2-[[5-[(4-nitrophenyl)methoxy]-5-oxopentanoyl]amino]acetic acid

C14H16N2O7 — CID 56927947

IUPAC2-[[5-[(4-nitrophenyl)methoxy]-5-oxopentanoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CCCC(=O)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H16N2O7/c17-12(15-8-13(18)19)2-1-3-14(20)23-9-10-4-6-11(7-5-10)16(21)22/h4-7H,1-3,8-9H2,(H,15,17)(H,18,19)
InChIKeyFZUOVOYKVXSJJG-UHFFFAOYSA-N
MW324.29 g/mol
LogP1.01
Rot. Bonds9

About 2-[[5-[(4-nitrophenyl)methoxy]-5-oxopentanoyl]amino]acetic acid

2-[[5-[(4-nitrophenyl)methoxy]-5-oxopentanoyl]amino]acetic acid (PubChem CID 56927947) has the molecular formula C14H16N2O7 and a molecular weight of 324.29 g/mol. Its IUPAC name is 2-[[5-[(4-nitrophenyl)methoxy]-5-oxopentanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-[(4-nitrophenyl)methoxy]-5-oxopentanoyl]amino]acetic acid
PubChem CID56927947
Molecular FormulaC14H16N2O7
Molecular Weight324.29 g/mol
Exact Mass324.10
IUPAC Name2-[[5-[(4-nitrophenyl)methoxy]-5-oxopentanoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CCCC(=O)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H16N2O7/c17-12(15-8-13(18)19)2-1-3-14(20)23-9-10-4-6-11(7-5-10)16(21)22/h4-7H,1-3,8-9H2,(H,15,17)(H,18,19)
InChIKeyFZUOVOYKVXSJJG-UHFFFAOYSA-N
XLogP1.01
TPSA135.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 51.01
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'}

Analyze 2-[[5-[(4-nitrophenyl)methoxy]-5-oxopentanoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-oxo-6-phenylmethoxyhexanoyl)amino]acetic acid
CID 121350347
benzyl 2-[4-(4-nitroanilino)butanoylamino]acetate
CID 29209749
(4-nitrophenyl)methyl hexadecanoate
CID 14440564
2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid
CID 139916418
(4-nitrophenyl)methyl 3-chloro-3-oxopropanoate
CID 71324193
(4-nitrophenyl)methyl N-[(4-nitrophenyl)methyl]carbamate
CID 158564430
2-[3-[(4-nitrobenzoyl)amino]propanoylamino]acetic acid
CID 119171145
(4-nitrophenyl)methyl 4-(4-methylanilino)-4-oxobutanoate
CID 3961538
benzyl 4-(4-nitrophenoxy)carbonyloxybutanoate
CID 146628720
bis[2-(4-nitrophenyl)ethyl] hexanedioate
CID 132820351
hydrazinyl (4-nitrophenyl)methyl carbonate
CID 54150427
2-[(3-oxo-3-phenylmethoxypropanoyl)amino]acetic acid
CID 69081504

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-nitrophenyl)methoxy]-5-oxopentanoyl]amino]acetic acid?
The IUPAC name of 2-[[5-[(4-nitrophenyl)methoxy]-5-oxopentanoyl]amino]acetic acid (CID 56927947) is 2-[[5-[(4-nitrophenyl)methoxy]-5-oxopentanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-[(4-nitrophenyl)methoxy]-5-oxopentanoyl]amino]acetic acid?
The canonical SMILES for 2-[[5-[(4-nitrophenyl)methoxy]-5-oxopentanoyl]amino]acetic acid is O=C(O)CNC(=O)CCCC(=O)OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[[5-[(4-nitrophenyl)methoxy]-5-oxopentanoyl]amino]acetic acid?
The InChIKey is FZUOVOYKVXSJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O7/c17-12(15-8-13(18)19)2-1-3-14(20)23-9-10-4-6-11(7-5-10)16(21)22/h4-7H,1-3,8-9H2,(H,15,17)(H,18,19).
What are the key properties of 2-[[5-[(4-nitrophenyl)methoxy]-5-oxopentanoyl]amino]acetic acid?
2-[[5-[(4-nitrophenyl)methoxy]-5-oxopentanoyl]amino]acetic acid has a molecular weight of 324.29 g/mol, XLogP of 1.01, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4-nitrophenyl)methoxy]-5-oxopentanoyl]amino]acetic acid is sourced from PubChem (CID 56927947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).