2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide

C11H15N3O4 — CID 114153568

IUPAC2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide
SMILESCC(NCC(O)C(N)=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H15N3O4/c1-7(13-6-10(15)11(12)16)8-2-4-9(5-3-8)14(17)18/h2-5,7,10,13,15H,6H2,1H3,(H2,12,16)
InChIKeyQDIAIAYZBWCIDX-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.09
Rot. Bonds6

About 2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide

2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide (PubChem CID 114153568) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide
PubChem CID114153568
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide
SMILESCC(NCC(O)C(N)=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H15N3O4/c1-7(13-6-10(15)11(12)16)8-2-4-9(5-3-8)14(17)18/h2-5,7,10,13,15H,6H2,1H3,(H2,12,16)
InChIKeyQDIAIAYZBWCIDX-UHFFFAOYSA-N
XLogP0.09
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

(2S,4R)-4-methyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pentan-2-ol
CID 129378741
3-ethyl-1-[1-(4-nitrophenyl)ethylamino]pentan-2-ol
CID 103783080
2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 106170555
2-[1-(4-nitrophenyl)ethylamino]ethyl carbamate
CID 83210126
2-ethyl-N-[1-(4-nitrophenyl)ethyl]butan-1-amine
CID 115718046
3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide
CID 106170973
(1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol
CID 175021813
2-N,2-N,3-trimethyl-1-N-[1-(4-nitrophenyl)ethyl]butane-1,2-diamine
CID 43297383
N-[2-[1-(4-nitrophenyl)ethylamino]ethyl]acetamide
CID 43297387
2-hydroxy-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]propanamide
CID 106165597
N-[1-(4-nitrophenyl)ethyl]prop-2-yn-1-amine
CID 43297240
2-bromo-N-[1-(4-nitrophenyl)ethyl]prop-2-en-1-amine
CID 115717297

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide (CID 114153568) is 2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide is CC(NCC(O)C(N)=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide?
The InChIKey is QDIAIAYZBWCIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7(13-6-10(15)11(12)16)8-2-4-9(5-3-8)14(17)18/h2-5,7,10,13,15H,6H2,1H3,(H2,12,16).
What are the key properties of 2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide?
2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide has a molecular weight of 253.26 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide is sourced from PubChem (CID 114153568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).