[(2R)-2-amino-3-cyclohexa-1,5-dien-1-ylpropyl] carbamate

C10H16N2O2 — CID 129163357

IUPAC[(2R)-2-amino-3-cyclohexa-1,5-dien-1-ylpropyl] carbamate
SMILESNC(=O)OC[C@H](N)CC1=CCCC=C1
InChIInChI=1S/C10H16N2O2/c11-9(7-14-10(12)13)6-8-4-2-1-3-5-8/h2,4-5,9H,1,3,6-7,11H2,(H2,12,13)/t9-/m1/s1
InChIKeyDPMLFEXHXOQCGB-SECBINFHSA-N
MW196.25 g/mol
LogP1.08
Rot. Bonds4

About [(2R)-2-amino-3-cyclohexa-1,5-dien-1-ylpropyl] carbamate

[(2R)-2-amino-3-cyclohexa-1,5-dien-1-ylpropyl] carbamate (PubChem CID 129163357) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is [(2R)-2-amino-3-cyclohexa-1,5-dien-1-ylpropyl] carbamate.

Molecular Properties

Compound Name[(2R)-2-amino-3-cyclohexa-1,5-dien-1-ylpropyl] carbamate
PubChem CID129163357
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name[(2R)-2-amino-3-cyclohexa-1,5-dien-1-ylpropyl] carbamate
SMILESNC(=O)OC[C@H](N)CC1=CCCC=C1
InChIInChI=1S/C10H16N2O2/c11-9(7-14-10(12)13)6-8-4-2-1-3-5-8/h2,4-5,9H,1,3,6-7,11H2,(H2,12,13)/t9-/m1/s1
InChIKeyDPMLFEXHXOQCGB-SECBINFHSA-N
XLogP1.08
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-3-cyclohexa-1,5-dien-1-ylpropyl] carbamate?
The IUPAC name of [(2R)-2-amino-3-cyclohexa-1,5-dien-1-ylpropyl] carbamate (CID 129163357) is [(2R)-2-amino-3-cyclohexa-1,5-dien-1-ylpropyl] carbamate.
What is the SMILES notation for [(2R)-2-amino-3-cyclohexa-1,5-dien-1-ylpropyl] carbamate?
The canonical SMILES for [(2R)-2-amino-3-cyclohexa-1,5-dien-1-ylpropyl] carbamate is NC(=O)OC[C@H](N)CC1=CCCC=C1.
What is the InChIKey of [(2R)-2-amino-3-cyclohexa-1,5-dien-1-ylpropyl] carbamate?
The InChIKey is DPMLFEXHXOQCGB-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2O2/c11-9(7-14-10(12)13)6-8-4-2-1-3-5-8/h2,4-5,9H,1,3,6-7,11H2,(H2,12,13)/t9-/m1/s1.
What are the key properties of [(2R)-2-amino-3-cyclohexa-1,5-dien-1-ylpropyl] carbamate?
[(2R)-2-amino-3-cyclohexa-1,5-dien-1-ylpropyl] carbamate has a molecular weight of 196.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-3-cyclohexa-1,5-dien-1-ylpropyl] carbamate is sourced from PubChem (CID 129163357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).