2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide

C10H13N3O5 — CID 103201521

IUPAC2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide
SMILESCOc1ccc(OCC(N)C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O5/c1-17-9-3-2-6(4-8(9)13(15)16)18-5-7(11)10(12)14/h2-4,7H,5,11H2,1H3,(H2,12,14)
InChIKeyPQKCXYKZSWZXJC-UHFFFAOYSA-N
MW255.23 g/mol
LogP-0.21
Rot. Bonds6

About 2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide

2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide (PubChem CID 103201521) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide
PubChem CID103201521
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide
SMILESCOc1ccc(OCC(N)C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O5/c1-17-9-3-2-6(4-8(9)13(15)16)18-5-7(11)10(12)14/h2-4,7H,5,11H2,1H3,(H2,12,14)
InChIKeyPQKCXYKZSWZXJC-UHFFFAOYSA-N
XLogP-0.21
TPSA130.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.21
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

2-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propanamide
CID 103202199
3-(4-methoxy-3-nitrophenoxy)-2-(propylamino)propanoic acid
CID 103202213
1-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propan-2-ol
CID 103201565
(4-methoxy-2-nitrophenyl) propanoate
CID 58225888
tert-butyl 3-(4-methoxy-3-nitrophenoxy)propanoate
CID 103201539
methyl (E)-4-(4-methoxy-3-nitrophenoxy)-2-methylbut-2-enoate
CID 103201508
4-(3,3-diethoxypropoxy)-1-methoxy-2-nitrobenzene
CID 103201867
1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone
CID 103201857
(4-methoxy-3-nitrophenyl) prop-2-enoate
CID 139661081
4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene
CID 103201593
N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine
CID 59427849
2-(ethylamino)-4-(4-methoxy-2-nitrophenoxy)butanamide
CID 63039034

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide?
The IUPAC name of 2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide (CID 103201521) is 2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide.
What is the SMILES notation for 2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide?
The canonical SMILES for 2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide is COc1ccc(OCC(N)C(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of 2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide?
The InChIKey is PQKCXYKZSWZXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-17-9-3-2-6(4-8(9)13(15)16)18-5-7(11)10(12)14/h2-4,7H,5,11H2,1H3,(H2,12,14).
What are the key properties of 2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide?
2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide has a molecular weight of 255.23 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide is sourced from PubChem (CID 103201521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).