(2S)-2-(3-nitrophenoxy)propanamide

C9H10N2O4 — CID 7865254

IUPAC(2S)-2-(3-nitrophenoxy)propanamide
SMILESC[C@H](Oc1cccc([N+](=O)[O-])c1)C(N)=O
InChIInChI=1S/C9H10N2O4/c1-6(9(10)12)15-8-4-2-3-7(5-8)11(13)14/h2-6H,1H3,(H2,10,12)/t6-/m0/s1
InChIKeyQCNODALPQXBHTI-LURJTMIESA-N
MW210.19 g/mol
LogP0.85
Rot. Bonds4

About (2S)-2-(3-nitrophenoxy)propanamide

(2S)-2-(3-nitrophenoxy)propanamide (PubChem CID 7865254) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is (2S)-2-(3-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-nitrophenoxy)propanamide
PubChem CID7865254
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name(2S)-2-(3-nitrophenoxy)propanamide
SMILESC[C@H](Oc1cccc([N+](=O)[O-])c1)C(N)=O
InChIInChI=1S/C9H10N2O4/c1-6(9(10)12)15-8-4-2-3-7(5-8)11(13)14/h2-6H,1H3,(H2,10,12)/t6-/m0/s1
InChIKeyQCNODALPQXBHTI-LURJTMIESA-N
XLogP0.85
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-2-(3-nitrophenoxy)-N-propylpropanamide
CID 8956680
4-[[(2S)-2-(3-nitrophenoxy)propanoyl]amino]benzamide
CID 7865285
4-(3-nitrophenoxy)pentan-2-one
CID 64698549
2-(3-aminophenoxy)propanamide
CID 43115971
2-(2-fluoro-4-nitrophenoxy)propanamide
CID 61034848
(3-nitrophenyl) 2-amino-2-oxoacetate
CID 91622405
2-(1-amino-1-oxopropan-2-yl)oxy-5-nitrobenzoic acid
CID 43472842
2-[4-(2-cyano-4-nitrophenoxy)phenoxy]propanamide
CID 133330266
2-chloro-2-(3-nitrophenoxy)acetic acid
CID 87465859
N-(fluoren-9-ylideneamino)-2-(3-nitrophenoxy)propanamide
CID 5083681
(2S)-N-(4-ethylphenyl)-2-(3-nitrophenoxy)propanamide
CID 7864960
5-[1-(3-nitrophenoxy)ethyl]-1,3,4-thiadiazol-2-amine
CID 12905319

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-nitrophenoxy)propanamide?
The IUPAC name of (2S)-2-(3-nitrophenoxy)propanamide (CID 7865254) is (2S)-2-(3-nitrophenoxy)propanamide.
What is the SMILES notation for (2S)-2-(3-nitrophenoxy)propanamide?
The canonical SMILES for (2S)-2-(3-nitrophenoxy)propanamide is C[C@H](Oc1cccc([N+](=O)[O-])c1)C(N)=O.
What is the InChIKey of (2S)-2-(3-nitrophenoxy)propanamide?
The InChIKey is QCNODALPQXBHTI-LURJTMIESA-N. The full InChI is InChI=1S/C9H10N2O4/c1-6(9(10)12)15-8-4-2-3-7(5-8)11(13)14/h2-6H,1H3,(H2,10,12)/t6-/m0/s1.
What are the key properties of (2S)-2-(3-nitrophenoxy)propanamide?
(2S)-2-(3-nitrophenoxy)propanamide has a molecular weight of 210.19 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-nitrophenoxy)propanamide is sourced from PubChem (CID 7865254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).