(2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid

C11H14N2O5 — CID 57351837

IUPAC(2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid
SMILESCOc1ccc([N+](=O)[O-])cc1N(C(=O)O)C(C)C
InChIInChI=1S/C11H14N2O5/c1-7(2)12(11(14)15)9-6-8(13(16)17)4-5-10(9)18-3/h4-7H,1-3H3,(H,14,15)
InChIKeyHBRZIACDOHAUNG-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.50
Rot. Bonds4

About (2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid

(2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid (PubChem CID 57351837) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is (2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid.

Molecular Properties

Compound Name(2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid
PubChem CID57351837
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name(2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid
SMILESCOc1ccc([N+](=O)[O-])cc1N(C(=O)O)C(C)C
InChIInChI=1S/C11H14N2O5/c1-7(2)12(11(14)15)9-6-8(13(16)17)4-5-10(9)18-3/h4-7H,1-3H3,(H,14,15)
InChIKeyHBRZIACDOHAUNG-UHFFFAOYSA-N
XLogP2.50
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.50
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

N-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide
CID 59092898
2-(N-(4-bromophenyl)sulfonyl-2-methoxy-5-nitroanilino)propanoic acid
CID 50894183
N-(2-methoxy-5-nitrophenyl)-N-methylpropanamide
CID 59167877
propan-2-yl 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetate
CID 50893989
2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol
CID 4640416
N-(2-methoxy-5-nitrophenyl)propanehydrazide
CID 71146725
2-(dimethylamino)-N-(2-methoxy-5-nitrophenyl)-N-methylacetamide
CID 18980103
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-propan-2-ylacetamide
CID 5000921
2-methoxy-5-nitrobenzoic acid;zinc
CID 67791241
N-[(2S)-butan-2-yl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide
CID 124550853
2-(2-methoxy-N-(4-methylphenyl)sulfonyl-5-nitroanilino)acetic acid
CID 28590072
2-[(2-methoxy-5-nitrophenyl)methylsulfonyl]propanoic acid
CID 43247131

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid?
The IUPAC name of (2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid (CID 57351837) is (2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid.
What is the SMILES notation for (2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid?
The canonical SMILES for (2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid is COc1ccc([N+](=O)[O-])cc1N(C(=O)O)C(C)C.
What is the InChIKey of (2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid?
The InChIKey is HBRZIACDOHAUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-7(2)12(11(14)15)9-6-8(13(16)17)4-5-10(9)18-3/h4-7H,1-3H3,(H,14,15).
What are the key properties of (2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid?
(2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid has a molecular weight of 254.24 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid is sourced from PubChem (CID 57351837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).