[(1R,2S)-3-fluoro-2-(2-methylpropanoylamino)-1-phenylpropyl] acetate;yttrium

C15H19FNO3Y- — CID 59753079

IUPAC[(1R,2S)-3-fluoro-2-(2-methylpropanoylamino)-1-phenylpropyl] acetate;yttrium
SMILESCC(=O)O[C@H](c1cc[c-]cc1)[C@@H](CF)NC(=O)C(C)C.[Y]
InChIInChI=1S/C15H19FNO3.Y/c1-10(2)15(19)17-13(9-16)14(20-11(3)18)12-7-5-4-6-8-12;/h5-8,10,13-14H,9H2,1-3H3,(H,17,19);/q-1;/t13-,14-;/m1./s1
InChIKeyUASVKXOZDUOXSK-DTPOWOMPSA-N
MW369.23 g/mol
LogP2.20
Rot. Bonds6

About [(1R,2S)-3-fluoro-2-(2-methylpropanoylamino)-1-phenylpropyl] acetate;yttrium

[(1R,2S)-3-fluoro-2-(2-methylpropanoylamino)-1-phenylpropyl] acetate;yttrium (PubChem CID 59753079) has the molecular formula C15H19FNO3Y- and a molecular weight of 369.23 g/mol. Its IUPAC name is [(1R,2S)-3-fluoro-2-(2-methylpropanoylamino)-1-phenylpropyl] acetate;yttrium.

Molecular Properties

Compound Name[(1R,2S)-3-fluoro-2-(2-methylpropanoylamino)-1-phenylpropyl] acetate;yttrium
PubChem CID59753079
Molecular FormulaC15H19FNO3Y-
Molecular Weight369.23 g/mol
Exact Mass369.04
IUPAC Name[(1R,2S)-3-fluoro-2-(2-methylpropanoylamino)-1-phenylpropyl] acetate;yttrium
SMILESCC(=O)O[C@H](c1cc[c-]cc1)[C@@H](CF)NC(=O)C(C)C.[Y]
InChIInChI=1S/C15H19FNO3.Y/c1-10(2)15(19)17-13(9-16)14(20-11(3)18)12-7-5-4-6-8-12;/h5-8,10,13-14H,9H2,1-3H3,(H,17,19);/q-1;/t13-,14-;/m1./s1
InChIKeyUASVKXOZDUOXSK-DTPOWOMPSA-N
XLogP2.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-[(Z,4E)-6-amino-4-ethylidene-7-fluoro-5-methoxyhept-2-enyl]acetamide
CID 143418533
[(1R,2S)-3-fluoro-2-(2-methylpropanoylamino)-1-phenylpropyl] butanoate;yttrium
CID 59753083
[(1R,2S)-3-fluoro-2-(2-methylpropanoylamino)-1-phenylpropyl] hexanoate;yttrium
CID 59753085
ethyl (3R,4R)-4-acetamido-3-pentan-3-yloxycyclohexa-1,5-diene-1-carboxylate
CID 71047981
Ethyl 2-[2-(6-methoxy-6,7-dihydronaphthalen-2-yl)propanoylamino]-3-methylbutanoate
CID 89729660
N-(5,6-dimethyl-6-propoxycyclohexa-2,4-dien-1-yl)propanamide
CID 142122290
N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide;molecular hydrogen
CID 170755581
N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide
CID 170755582

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-3-fluoro-2-(2-methylpropanoylamino)-1-phenylpropyl] acetate;yttrium?
The IUPAC name of [(1R,2S)-3-fluoro-2-(2-methylpropanoylamino)-1-phenylpropyl] acetate;yttrium (CID 59753079) is [(1R,2S)-3-fluoro-2-(2-methylpropanoylamino)-1-phenylpropyl] acetate;yttrium.
What is the SMILES notation for [(1R,2S)-3-fluoro-2-(2-methylpropanoylamino)-1-phenylpropyl] acetate;yttrium?
The canonical SMILES for [(1R,2S)-3-fluoro-2-(2-methylpropanoylamino)-1-phenylpropyl] acetate;yttrium is CC(=O)O[C@H](c1cc[c-]cc1)[C@@H](CF)NC(=O)C(C)C.[Y].
What is the InChIKey of [(1R,2S)-3-fluoro-2-(2-methylpropanoylamino)-1-phenylpropyl] acetate;yttrium?
The InChIKey is UASVKXOZDUOXSK-DTPOWOMPSA-N. The full InChI is InChI=1S/C15H19FNO3.Y/c1-10(2)15(19)17-13(9-16)14(20-11(3)18)12-7-5-4-6-8-12;/h5-8,10,13-14H,9H2,1-3H3,(H,17,19);/q-1;/t13-,14-;/m1./s1.
What are the key properties of [(1R,2S)-3-fluoro-2-(2-methylpropanoylamino)-1-phenylpropyl] acetate;yttrium?
[(1R,2S)-3-fluoro-2-(2-methylpropanoylamino)-1-phenylpropyl] acetate;yttrium has a molecular weight of 369.23 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-3-fluoro-2-(2-methylpropanoylamino)-1-phenylpropyl] acetate;yttrium is sourced from PubChem (CID 59753079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).