(2R)-2-amino-N-[2-(4-nitroanilino)ethyl]propanamide

C11H16N4O3 — CID 119272520

IUPAC(2R)-2-amino-N-[2-(4-nitroanilino)ethyl]propanamide
SMILESC[C@@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H16N4O3/c1-8(12)11(16)14-7-6-13-9-2-4-10(5-3-9)15(17)18/h2-5,8,13H,6-7,12H2,1H3,(H,14,16)/t8-/m1/s1
InChIKeyJVXUSWMXUCJJEM-MRVPVSSYSA-N
MW252.27 g/mol
LogP0.47
Rot. Bonds6

About (2R)-2-amino-N-[2-(4-nitroanilino)ethyl]propanamide

(2R)-2-amino-N-[2-(4-nitroanilino)ethyl]propanamide (PubChem CID 119272520) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(4-nitroanilino)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(4-nitroanilino)ethyl]propanamide
PubChem CID119272520
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name(2R)-2-amino-N-[2-(4-nitroanilino)ethyl]propanamide
SMILESC[C@@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H16N4O3/c1-8(12)11(16)14-7-6-13-9-2-4-10(5-3-9)15(17)18/h2-5,8,13H,6-7,12H2,1H3,(H,14,16)/t8-/m1/s1
InChIKeyJVXUSWMXUCJJEM-MRVPVSSYSA-N
XLogP0.47
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-methoxy-N-[2-(4-nitroanilino)ethyl]propanamide
CID 120983952
(2S)-N-[2-(4-nitroanilino)ethyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 9308962
(2S)-2-(4-fluorophenoxy)-N-[2-(4-nitroanilino)ethyl]propanamide
CID 9309027
2-(4-methylphenoxy)-N-[2-(4-nitroanilino)ethyl]propanamide
CID 51222088
(2R)-2-(4-bromophenoxy)-N-[2-(4-nitroanilino)ethyl]propanamide
CID 9308800
2-methylsulfanyl-N-[2-(4-nitroanilino)ethyl]benzamide
CID 26446065
2-(2-methylphenyl)-N-[2-(4-nitroanilino)ethyl]acetamide
CID 9308940
(2R)-3-methyl-N-[2-(4-nitroanilino)ethyl]-2-(phenylcarbamoylamino)butanamide
CID 9308862
3,5-dimethyl-N-[2-(4-nitroanilino)ethyl]benzamide
CID 9308454
N-[3-(4-nitroanilino)propyl]acetamide
CID 2885784
2-chloro-N-[3-methyl-1-[2-(4-nitroanilino)ethylamino]-1-oxobutan-2-yl]benzamide
CID 84976342
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(4-nitroanilino)ethyl]propanamide
CID 9309061

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(4-nitroanilino)ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-(4-nitroanilino)ethyl]propanamide (CID 119272520) is (2R)-2-amino-N-[2-(4-nitroanilino)ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(4-nitroanilino)ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(4-nitroanilino)ethyl]propanamide is C[C@@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-2-amino-N-[2-(4-nitroanilino)ethyl]propanamide?
The InChIKey is JVXUSWMXUCJJEM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-8(12)11(16)14-7-6-13-9-2-4-10(5-3-9)15(17)18/h2-5,8,13H,6-7,12H2,1H3,(H,14,16)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(4-nitroanilino)ethyl]propanamide?
(2R)-2-amino-N-[2-(4-nitroanilino)ethyl]propanamide has a molecular weight of 252.27 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(4-nitroanilino)ethyl]propanamide is sourced from PubChem (CID 119272520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).