(2R)-2-[5-(aminomethyl)-2-nitrophenoxy]-1-morpholin-4-ylpropan-1-one

C14H19N3O5 — CID 59924430

IUPAC(2R)-2-[5-(aminomethyl)-2-nitrophenoxy]-1-morpholin-4-ylpropan-1-one
SMILESC[C@@H](Oc1cc(CN)ccc1[N+](=O)[O-])C(=O)N1CCOCC1
InChIInChI=1S/C14H19N3O5/c1-10(14(18)16-4-6-21-7-5-16)22-13-8-11(9-15)2-3-12(13)17(19)20/h2-3,8,10H,4-7,9,15H2,1H3/t10-/m1/s1
InChIKeyPTSGYKUVICDYHV-SNVBAGLBSA-N
MW309.32 g/mol
LogP0.68
Rot. Bonds5

About (2R)-2-[5-(aminomethyl)-2-nitrophenoxy]-1-morpholin-4-ylpropan-1-one

(2R)-2-[5-(aminomethyl)-2-nitrophenoxy]-1-morpholin-4-ylpropan-1-one (PubChem CID 59924430) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2R)-2-[5-(aminomethyl)-2-nitrophenoxy]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[5-(aminomethyl)-2-nitrophenoxy]-1-morpholin-4-ylpropan-1-one
PubChem CID59924430
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name(2R)-2-[5-(aminomethyl)-2-nitrophenoxy]-1-morpholin-4-ylpropan-1-one
SMILESC[C@@H](Oc1cc(CN)ccc1[N+](=O)[O-])C(=O)N1CCOCC1
InChIInChI=1S/C14H19N3O5/c1-10(14(18)16-4-6-21-7-5-16)22-13-8-11(9-15)2-3-12(13)17(19)20/h2-3,8,10H,4-7,9,15H2,1H3/t10-/m1/s1
InChIKeyPTSGYKUVICDYHV-SNVBAGLBSA-N
XLogP0.68
TPSA107.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
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-[4-(aminomethyl)-2-nitrophenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43137723
2-[5-(aminomethyl)-2-nitrophenoxy]propanoic acid
CID 62114273
2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43115804
2-[5-(aminomethyl)-2-nitrophenoxy]-N-propylpropanamide
CID 62114280
1-morpholin-4-yl-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propan-1-one
CID 42898646
2-[4-(aminomethyl)-2-methoxyphenoxy]-1-piperidin-1-ylpropan-1-one
CID 43115873
2-(5-chloro-2-nitrophenoxy)-1-piperazin-1-ylpropan-1-one
CID 62304501
2-[5-(aminomethyl)-2-nitrophenoxy]butanamide
CID 62900391
2-(2-nitrophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 4943757
2-[4-(aminomethyl)-2-bromophenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 55147322
2-(2-nitrophenoxy)-1-[4-[2-(2-nitrophenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981274
2-[4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43083069

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(aminomethyl)-2-nitrophenoxy]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2R)-2-[5-(aminomethyl)-2-nitrophenoxy]-1-morpholin-4-ylpropan-1-one (CID 59924430) is (2R)-2-[5-(aminomethyl)-2-nitrophenoxy]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[5-(aminomethyl)-2-nitrophenoxy]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2R)-2-[5-(aminomethyl)-2-nitrophenoxy]-1-morpholin-4-ylpropan-1-one is C[C@@H](Oc1cc(CN)ccc1[N+](=O)[O-])C(=O)N1CCOCC1.
What is the InChIKey of (2R)-2-[5-(aminomethyl)-2-nitrophenoxy]-1-morpholin-4-ylpropan-1-one?
The InChIKey is PTSGYKUVICDYHV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-10(14(18)16-4-6-21-7-5-16)22-13-8-11(9-15)2-3-12(13)17(19)20/h2-3,8,10H,4-7,9,15H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-[5-(aminomethyl)-2-nitrophenoxy]-1-morpholin-4-ylpropan-1-one?
(2R)-2-[5-(aminomethyl)-2-nitrophenoxy]-1-morpholin-4-ylpropan-1-one has a molecular weight of 309.32 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(aminomethyl)-2-nitrophenoxy]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 59924430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).