2-amino-3-phenylpropanoic acid;morpholin-2-amine;2,2,2-trifluoroacetic acid

C15H22F3N3O5 — CID 174337618

IUPAC2-amino-3-phenylpropanoic acid;morpholin-2-amine;2,2,2-trifluoroacetic acid
SMILESNC(Cc1ccccc1)C(=O)O.NC1CNCCO1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H11NO2.C4H10N2O.C2HF3O2/c10-8(9(11)12)6-7-4-2-1-3-5-7;5-4-3-6-1-2-7-4;3-2(4,5)1(6)7/h1-5,8H,6,10H2,(H,11,12);4,6H,1-3,5H2;(H,6,7)
InChIKeyRGWOJDMAHFWMBJ-UHFFFAOYSA-N
MW381.35 g/mol
LogP0.17
Rot. Bonds3

About 2-amino-3-phenylpropanoic acid;morpholin-2-amine;2,2,2-trifluoroacetic acid

2-amino-3-phenylpropanoic acid;morpholin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 174337618) has the molecular formula C15H22F3N3O5 and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-amino-3-phenylpropanoic acid;morpholin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-3-phenylpropanoic acid;morpholin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID174337618
Molecular FormulaC15H22F3N3O5
Molecular Weight381.35 g/mol
Exact Mass381.15
IUPAC Name2-amino-3-phenylpropanoic acid;morpholin-2-amine;2,2,2-trifluoroacetic acid
SMILESNC(Cc1ccccc1)C(=O)O.NC1CNCCO1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H11NO2.C4H10N2O.C2HF3O2/c10-8(9(11)12)6-7-4-2-1-3-5-7;5-4-3-6-1-2-7-4;3-2(4,5)1(6)7/h1-5,8H,6,10H2,(H,11,12);4,6H,1-3,5H2;(H,6,7)
InChIKeyRGWOJDMAHFWMBJ-UHFFFAOYSA-N
XLogP0.17
TPSA147.90 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 50.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 70476310
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenylpropanoic acid;morpholin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-3-phenylpropanoic acid;morpholin-2-amine;2,2,2-trifluoroacetic acid (CID 174337618) is 2-amino-3-phenylpropanoic acid;morpholin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-3-phenylpropanoic acid;morpholin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-3-phenylpropanoic acid;morpholin-2-amine;2,2,2-trifluoroacetic acid is NC(Cc1ccccc1)C(=O)O.NC1CNCCO1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-3-phenylpropanoic acid;morpholin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is RGWOJDMAHFWMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C4H10N2O.C2HF3O2/c10-8(9(11)12)6-7-4-2-1-3-5-7;5-4-3-6-1-2-7-4;3-2(4,5)1(6)7/h1-5,8H,6,10H2,(H,11,12);4,6H,1-3,5H2;(H,6,7).
What are the key properties of 2-amino-3-phenylpropanoic acid;morpholin-2-amine;2,2,2-trifluoroacetic acid?
2-amino-3-phenylpropanoic acid;morpholin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 381.35 g/mol, XLogP of 0.17, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenylpropanoic acid;morpholin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174337618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).