(2-methyl-4-nitrophenyl)methylcarbamic acid

C9H10N2O4 — CID 143383996

IUPAC(2-methyl-4-nitrophenyl)methylcarbamic acid
SMILESCc1cc([N+](=O)[O-])ccc1CNC(=O)O
InChIInChI=1S/C9H10N2O4/c1-6-4-8(11(14)15)3-2-7(6)5-10-9(12)13/h2-4,10H,5H2,1H3,(H,12,13)
InChIKeyLQZUZABFPITFHG-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.67
Rot. Bonds3

About (2-methyl-4-nitrophenyl)methylcarbamic acid

(2-methyl-4-nitrophenyl)methylcarbamic acid (PubChem CID 143383996) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is (2-methyl-4-nitrophenyl)methylcarbamic acid.

Molecular Properties

Compound Name(2-methyl-4-nitrophenyl)methylcarbamic acid
PubChem CID143383996
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name(2-methyl-4-nitrophenyl)methylcarbamic acid
SMILESCc1cc([N+](=O)[O-])ccc1CNC(=O)O
InChIInChI=1S/C9H10N2O4/c1-6-4-8(11(14)15)3-2-7(6)5-10-9(12)13/h2-4,10H,5H2,1H3,(H,12,13)
InChIKeyLQZUZABFPITFHG-UHFFFAOYSA-N
XLogP1.67
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

methyl 2-(2-methyl-4-nitrophenyl)acetate
CID 10081813
2-(carboxyamino)-3-(2-methyl-4-nitrophenyl)propanoic acid
CID 153326234
N-[(2-methyl-5-nitrophenyl)methyl]prop-2-enamide
CID 13175475
2-(2-methyl-4-nitrophenyl)ethanamine
CID 130050826
N-[(2-methyl-4-nitrophenyl)methyl]-2-(trimethylsilylmethoxy)ethanamine
CID 177253709
1-(2-methyl-4-nitrophenyl)ethanone
CID 13043891
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-methyl-4-nitrobenzamide
CID 79530745
N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-4-nitrobenzamide
CID 103770276
2-[(2-methylphenyl)methylamino]-5-nitrobenzoic acid
CID 60661537
(2-methyl-4-nitrophenyl)methanesulfonamide
CID 141473969
1-(3-bromopropyl)-2-methyl-4-nitrobenzene
CID 118847726
2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzamide;hydrochloride
CID 119502547

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-nitrophenyl)methylcarbamic acid?
The IUPAC name of (2-methyl-4-nitrophenyl)methylcarbamic acid (CID 143383996) is (2-methyl-4-nitrophenyl)methylcarbamic acid.
What is the SMILES notation for (2-methyl-4-nitrophenyl)methylcarbamic acid?
The canonical SMILES for (2-methyl-4-nitrophenyl)methylcarbamic acid is Cc1cc([N+](=O)[O-])ccc1CNC(=O)O.
What is the InChIKey of (2-methyl-4-nitrophenyl)methylcarbamic acid?
The InChIKey is LQZUZABFPITFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-6-4-8(11(14)15)3-2-7(6)5-10-9(12)13/h2-4,10H,5H2,1H3,(H,12,13).
What are the key properties of (2-methyl-4-nitrophenyl)methylcarbamic acid?
(2-methyl-4-nitrophenyl)methylcarbamic acid has a molecular weight of 210.19 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-nitrophenyl)methylcarbamic acid is sourced from PubChem (CID 143383996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).