amino-[(4-methylphenyl)methyl]carbamic acid

C9H12N2O2 — CID 68916072

IUPACamino-[(4-methylphenyl)methyl]carbamic acid
SMILESCc1ccc(CN(N)C(=O)O)cc1
InChIInChI=1S/C9H12N2O2/c1-7-2-4-8(5-3-7)6-11(10)9(12)13/h2-5H,6,10H2,1H3,(H,12,13)
InChIKeyTYRLFYNOAVAIOW-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.35
Rot. Bonds2

About amino-[(4-methylphenyl)methyl]carbamic acid

amino-[(4-methylphenyl)methyl]carbamic acid (PubChem CID 68916072) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is amino-[(4-methylphenyl)methyl]carbamic acid.

Molecular Properties

Compound Nameamino-[(4-methylphenyl)methyl]carbamic acid
PubChem CID68916072
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Nameamino-[(4-methylphenyl)methyl]carbamic acid
SMILESCc1ccc(CN(N)C(=O)O)cc1
InChIInChI=1S/C9H12N2O2/c1-7-2-4-8(5-3-7)6-11(10)9(12)13/h2-5H,6,10H2,1H3,(H,12,13)
InChIKeyTYRLFYNOAVAIOW-UHFFFAOYSA-N
XLogP1.35
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

amino-[(2,4-dimethylphenyl)methyl]carbamic acid
CID 149436785
1-methyl-1-[(4-methylphenyl)methyl]hydrazine
CID 82280119
2-amino-4-[methyl-[(4-methylphenyl)methyl]amino]butanoic acid
CID 115241256
N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
3-[methyl-[(4-methylphenyl)methyl]amino]prop-2-enoic acid
CID 79889279
2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid
CID 155421471
carbonic acid;1,4-xylene
CID 89415214
1,3-diamino-1-benzyl-3-[(E)-2-(4-methylphenyl)sulfanylethenyl]urea
CID 155330002
2-amino-4-[methyl-[(4-methylphenyl)methyl]amino]-4-oxobutanoic acid
CID 115181103
3-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]propanoic acid
CID 82326759
5-[bis[(4-methylphenyl)methyl]amino]benzene-1,3-dicarboxylic acid
CID 178047347
2-[methyl-[(4-methylphenyl)methyl]carbamoyl]butanoic acid
CID 115186008

Frequently Asked Questions

What is the IUPAC name of amino-[(4-methylphenyl)methyl]carbamic acid?
The IUPAC name of amino-[(4-methylphenyl)methyl]carbamic acid (CID 68916072) is amino-[(4-methylphenyl)methyl]carbamic acid.
What is the SMILES notation for amino-[(4-methylphenyl)methyl]carbamic acid?
The canonical SMILES for amino-[(4-methylphenyl)methyl]carbamic acid is Cc1ccc(CN(N)C(=O)O)cc1.
What is the InChIKey of amino-[(4-methylphenyl)methyl]carbamic acid?
The InChIKey is TYRLFYNOAVAIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7-2-4-8(5-3-7)6-11(10)9(12)13/h2-5H,6,10H2,1H3,(H,12,13).
What are the key properties of amino-[(4-methylphenyl)methyl]carbamic acid?
amino-[(4-methylphenyl)methyl]carbamic acid has a molecular weight of 180.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[(4-methylphenyl)methyl]carbamic acid is sourced from PubChem (CID 68916072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).