2-amino-3-(2,4-dinitrophenyl)propanamide

C9H10N4O5 — CID 66222854

IUPAC2-amino-3-(2,4-dinitrophenyl)propanamide
SMILESNC(=O)C(N)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C9H10N4O5/c10-7(9(11)14)3-5-1-2-6(12(15)16)4-8(5)13(17)18/h1-2,4,7H,3,10H2,(H2,11,14)
InChIKeyWSRHXQFMEPMNTA-UHFFFAOYSA-N
MW254.20 g/mol
LogP-0.14
Rot. Bonds5

About 2-amino-3-(2,4-dinitrophenyl)propanamide

2-amino-3-(2,4-dinitrophenyl)propanamide (PubChem CID 66222854) has the molecular formula C9H10N4O5 and a molecular weight of 254.20 g/mol. Its IUPAC name is 2-amino-3-(2,4-dinitrophenyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(2,4-dinitrophenyl)propanamide
PubChem CID66222854
Molecular FormulaC9H10N4O5
Molecular Weight254.20 g/mol
Exact Mass254.07
IUPAC Name2-amino-3-(2,4-dinitrophenyl)propanamide
SMILESNC(=O)C(N)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C9H10N4O5/c10-7(9(11)14)3-5-1-2-6(12(15)16)4-8(5)13(17)18/h1-2,4,7H,3,10H2,(H2,11,14)
InChIKeyWSRHXQFMEPMNTA-UHFFFAOYSA-N
XLogP-0.14
TPSA155.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 5-0.14
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

methyl 2-amino-3-(2,4-dinitrophenyl)propanoate
CID 66222638
2-amino-3-(2-nitrophenyl)propanamide
CID 64990482
(2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid
CID 134160007
2-amino-3-(2-methyl-3-nitrophenyl)propanamide
CID 64990652
(2S)-2-amino-3-(2-iodo-4-nitrophenyl)propanoic acid
CID 54574280
ethyl 3-(2,4-dinitrophenyl)-2-ethylsulfanylpropanoate
CID 101159127
4-(2,4-dinitrophenyl)butan-2-one
CID 66223072
4-(2,4-dinitrophenyl)butan-2-ol
CID 66223081
2-[(2,4-dinitrophenyl)methylsulfinyl]acetic acid
CID 66222017
(2S)-2-[(2,4-dinitrophenyl)methyl]butanal
CID 124673248
2-bromo-3-(4-fluoro-2-nitrophenyl)propanamide
CID 104513119
(2R)-2-[(2,4-dinitrophenyl)methyl]butanal
CID 71607503

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4-dinitrophenyl)propanamide?
The IUPAC name of 2-amino-3-(2,4-dinitrophenyl)propanamide (CID 66222854) is 2-amino-3-(2,4-dinitrophenyl)propanamide.
What is the SMILES notation for 2-amino-3-(2,4-dinitrophenyl)propanamide?
The canonical SMILES for 2-amino-3-(2,4-dinitrophenyl)propanamide is NC(=O)C(N)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-amino-3-(2,4-dinitrophenyl)propanamide?
The InChIKey is WSRHXQFMEPMNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O5/c10-7(9(11)14)3-5-1-2-6(12(15)16)4-8(5)13(17)18/h1-2,4,7H,3,10H2,(H2,11,14).
What are the key properties of 2-amino-3-(2,4-dinitrophenyl)propanamide?
2-amino-3-(2,4-dinitrophenyl)propanamide has a molecular weight of 254.20 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4-dinitrophenyl)propanamide is sourced from PubChem (CID 66222854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).