2-methylpropyl N-(2-hydroxy-5-nitrophenyl)carbamate

C11H14N2O5 — CID 56689131

IUPAC2-methylpropyl N-(2-hydroxy-5-nitrophenyl)carbamate
SMILESCC(C)COC(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C11H14N2O5/c1-7(2)6-18-11(15)12-9-5-8(13(16)17)3-4-10(9)14/h3-5,7,14H,6H2,1-2H3,(H,12,15)
InChIKeyQYQDMJGTNFIOSR-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.50
Rot. Bonds4

About 2-methylpropyl N-(2-hydroxy-5-nitrophenyl)carbamate

2-methylpropyl N-(2-hydroxy-5-nitrophenyl)carbamate (PubChem CID 56689131) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-methylpropyl N-(2-hydroxy-5-nitrophenyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(2-hydroxy-5-nitrophenyl)carbamate
PubChem CID56689131
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2-methylpropyl N-(2-hydroxy-5-nitrophenyl)carbamate
SMILESCC(C)COC(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C11H14N2O5/c1-7(2)6-18-11(15)12-9-5-8(13(16)17)3-4-10(9)14/h3-5,7,14H,6H2,1-2H3,(H,12,15)
InChIKeyQYQDMJGTNFIOSR-UHFFFAOYSA-N
XLogP2.50
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl N-(2-methoxy-4-nitrophenyl)carbamate
CID 18877565
2-(2-methylpropoxycarbonylamino)-5-nitrobenzoic acid
CID 63110695
2-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)-4,4-dimethylpentanamide
CID 107744880
2-bromo-N-(2-hydroxy-5-nitrophenyl)-3-methylbutanamide
CID 52988833
2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide
CID 107744593
3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 107744574
2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide
CID 56766376
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912
ethyl N-[2-(5-chloro-2-hydroxyanilino)-5-nitrophenyl]carbamate
CID 19771102
N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944777
2-(cyclopropylmethoxy)-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 102560816
N-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17342416

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(2-hydroxy-5-nitrophenyl)carbamate?
The IUPAC name of 2-methylpropyl N-(2-hydroxy-5-nitrophenyl)carbamate (CID 56689131) is 2-methylpropyl N-(2-hydroxy-5-nitrophenyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(2-hydroxy-5-nitrophenyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(2-hydroxy-5-nitrophenyl)carbamate is CC(C)COC(=O)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-methylpropyl N-(2-hydroxy-5-nitrophenyl)carbamate?
The InChIKey is QYQDMJGTNFIOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-7(2)6-18-11(15)12-9-5-8(13(16)17)3-4-10(9)14/h3-5,7,14H,6H2,1-2H3,(H,12,15).
What are the key properties of 2-methylpropyl N-(2-hydroxy-5-nitrophenyl)carbamate?
2-methylpropyl N-(2-hydroxy-5-nitrophenyl)carbamate has a molecular weight of 254.24 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(2-hydroxy-5-nitrophenyl)carbamate is sourced from PubChem (CID 56689131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).