[(R)-cyano(phenyl)methyl]carbamic acid

C9H8N2O2 — CID 90107575

IUPAC[(R)-cyano(phenyl)methyl]carbamic acid
SMILESN#C[C@H](NC(=O)O)c1ccccc1
InChIInChI=1S/C9H8N2O2/c10-6-8(11-9(12)13)7-4-2-1-3-5-7/h1-5,8,11H,(H,12,13)/t8-/m0/s1
InChIKeyJVPZRQUABQSVMB-QMMMGPOBSA-N
MW176.17 g/mol
LogP1.52
Rot. Bonds2

About [(R)-cyano(phenyl)methyl]carbamic acid

[(R)-cyano(phenyl)methyl]carbamic acid (PubChem CID 90107575) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is [(R)-cyano(phenyl)methyl]carbamic acid.

Molecular Properties

Compound Name[(R)-cyano(phenyl)methyl]carbamic acid
PubChem CID90107575
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name[(R)-cyano(phenyl)methyl]carbamic acid
SMILESN#C[C@H](NC(=O)O)c1ccccc1
InChIInChI=1S/C9H8N2O2/c10-6-8(11-9(12)13)7-4-2-1-3-5-7/h1-5,8,11H,(H,12,13)/t8-/m0/s1
InChIKeyJVPZRQUABQSVMB-QMMMGPOBSA-N
XLogP1.52
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyano(phenyl)methyl]-3-methylurea
CID 86162991
N-[cyano(phenyl)methyl]-4-methylbenzamide
CID 10399858
ethyl N-[cyano(phenyl)methyl]carbamate
CID 60763548
N-[cyano(phenyl)methyl]-2-methylbenzamide
CID 60659356
N-[cyano(phenyl)methyl]cyclobutanecarboxamide
CID 60699487
N-[cyano(phenyl)methyl]-2,3-dimethylbenzamide
CID 60659253
N-[cyano(phenyl)methyl]cycloheptanecarboxamide
CID 62586494
4-cyano-N-[cyano(phenyl)methyl]benzamide
CID 60659354
N-[cyano(phenyl)methyl]bicyclo[1.1.0]butane-1-carboxamide
CID 166333388
N-[cyano(phenyl)methyl]-2-propylpentanamide
CID 82984597
N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide
CID 79005788
1-[cyano(phenyl)methyl]-3-(4-fluorophenyl)urea
CID 60706067

Frequently Asked Questions

What is the IUPAC name of [(R)-cyano(phenyl)methyl]carbamic acid?
The IUPAC name of [(R)-cyano(phenyl)methyl]carbamic acid (CID 90107575) is [(R)-cyano(phenyl)methyl]carbamic acid.
What is the SMILES notation for [(R)-cyano(phenyl)methyl]carbamic acid?
The canonical SMILES for [(R)-cyano(phenyl)methyl]carbamic acid is N#C[C@H](NC(=O)O)c1ccccc1.
What is the InChIKey of [(R)-cyano(phenyl)methyl]carbamic acid?
The InChIKey is JVPZRQUABQSVMB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H8N2O2/c10-6-8(11-9(12)13)7-4-2-1-3-5-7/h1-5,8,11H,(H,12,13)/t8-/m0/s1.
What are the key properties of [(R)-cyano(phenyl)methyl]carbamic acid?
[(R)-cyano(phenyl)methyl]carbamic acid has a molecular weight of 176.17 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-cyano(phenyl)methyl]carbamic acid is sourced from PubChem (CID 90107575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).