amino(benzyl)carbamic acid

C8H10N2O2 — CID 18704089

IUPACamino(benzyl)carbamic acid
SMILESNN(Cc1ccccc1)C(=O)O
InChIInChI=1S/C8H10N2O2/c9-10(8(11)12)6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,11,12)
InChIKeyROLZYTOAMYXLMF-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.04
Rot. Bonds2

About amino(benzyl)carbamic acid

amino(benzyl)carbamic acid (PubChem CID 18704089) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is amino(benzyl)carbamic acid.

Molecular Properties

Compound Nameamino(benzyl)carbamic acid
PubChem CID18704089
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Nameamino(benzyl)carbamic acid
SMILESNN(Cc1ccccc1)C(=O)O
InChIInChI=1S/C8H10N2O2/c9-10(8(11)12)6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,11,12)
InChIKeyROLZYTOAMYXLMF-UHFFFAOYSA-N
XLogP1.04
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.04
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(benzyl)carbamoperoxoic acid
CID 139935569
amino-[(4-methylphenyl)methyl]carbamic acid
CID 68916072
amino(benzyl)carbamic acid;2-hydrazinylbutanedioic acid
CID 70182477
benzyl N-amino-N-benzylcarbamate;hydrochloride
CID 172789622
N-benzylcyclopentanecarbohydrazide
CID 141018237
N-benzyl-2,2-dimethylbutanehydrazide
CID 178067841
(Z)-1-[amino(benzyl)amino]ethene-1,2-diamine
CID 144632746
(2S)-2-[[amino(benzyl)carbamoyl]amino]propanoic acid
CID 139928126
dimethyl (Z)-2-amino-3-[amino(benzyl)amino]but-2-enedioate
CID 142886062
2-[[amino(carboxy)amino]methyl]benzenesulfonic acid
CID 155320121
benzyl(bromo)carbamic acid
CID 87217964
benzyl(oxido)carbamic acid
CID 54711063

Frequently Asked Questions

What is the IUPAC name of amino(benzyl)carbamic acid?
The IUPAC name of amino(benzyl)carbamic acid (CID 18704089) is amino(benzyl)carbamic acid.
What is the SMILES notation for amino(benzyl)carbamic acid?
The canonical SMILES for amino(benzyl)carbamic acid is NN(Cc1ccccc1)C(=O)O.
What is the InChIKey of amino(benzyl)carbamic acid?
The InChIKey is ROLZYTOAMYXLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c9-10(8(11)12)6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,11,12).
What are the key properties of amino(benzyl)carbamic acid?
amino(benzyl)carbamic acid has a molecular weight of 166.18 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino(benzyl)carbamic acid is sourced from PubChem (CID 18704089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).