(2-amino-3-phenylpropoxy)carbonylazanium

C10H15N2O2+ — CID 152772339

IUPAC(2-amino-3-phenylpropoxy)carbonylazanium
SMILESNC(COC([NH3+])=O)Cc1ccccc1
InChIInChI=1S/C10H14N2O2/c11-9(7-14-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H2,12,13)/p+1
InChIKeyUCTRAOBQFUDCSR-UHFFFAOYSA-O
MW195.24 g/mol
LogP-0.07
Rot. Bonds4

About (2-amino-3-phenylpropoxy)carbonylazanium

(2-amino-3-phenylpropoxy)carbonylazanium (PubChem CID 152772339) has the molecular formula C10H15N2O2+ and a molecular weight of 195.24 g/mol. Its IUPAC name is (2-amino-3-phenylpropoxy)carbonylazanium.

Molecular Properties

Compound Name(2-amino-3-phenylpropoxy)carbonylazanium
PubChem CID152772339
Molecular FormulaC10H15N2O2+
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(2-amino-3-phenylpropoxy)carbonylazanium
SMILESNC(COC([NH3+])=O)Cc1ccccc1
InChIInChI=1S/C10H14N2O2/c11-9(7-14-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H2,12,13)/p+1
InChIKeyUCTRAOBQFUDCSR-UHFFFAOYSA-O
XLogP-0.07
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-amino-3-phenylpropyl] 2-methylpropanoate;hydrochloride
CID 68669537
acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
CID 172866706
(2-amino-3-phenylpropyl) 2,2-dimethylpropanoate
CID 20769130
1-(2-amino-3-phenylpropoxy)ethenol
CID 91268849
[(2R)-2-amino-3-phenylpropyl] acetate;[(2S)-2-amino-3-phenylpropyl] carbamate
CID 160831000
(2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid
CID 175923615
[(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate
CID 118351614
(2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate
CID 140687105
(2-amino-3-phenylpropyl) 2-methylbenzoate
CID 162385429
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
1-phenyl-3-phenylmethoxypropan-2-amine
CID 12815227
(2-amino-3-phenylpropyl)urea
CID 137464572

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-phenylpropoxy)carbonylazanium?
The IUPAC name of (2-amino-3-phenylpropoxy)carbonylazanium (CID 152772339) is (2-amino-3-phenylpropoxy)carbonylazanium.
What is the SMILES notation for (2-amino-3-phenylpropoxy)carbonylazanium?
The canonical SMILES for (2-amino-3-phenylpropoxy)carbonylazanium is NC(COC([NH3+])=O)Cc1ccccc1.
What is the InChIKey of (2-amino-3-phenylpropoxy)carbonylazanium?
The InChIKey is UCTRAOBQFUDCSR-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14N2O2/c11-9(7-14-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H2,12,13)/p+1.
What are the key properties of (2-amino-3-phenylpropoxy)carbonylazanium?
(2-amino-3-phenylpropoxy)carbonylazanium has a molecular weight of 195.24 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-phenylpropoxy)carbonylazanium is sourced from PubChem (CID 152772339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).