(2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid

C13H19N3O2 — CID 177277413

IUPAC(2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid
SMILESN[C@H](CN1CCN(c2ccccc2)CC1)C(=O)O
InChIInChI=1S/C13H19N3O2/c14-12(13(17)18)10-15-6-8-16(9-7-15)11-4-2-1-3-5-11/h1-5,12H,6-10,14H2,(H,17,18)/t12-/m1/s1
InChIKeyYDLODJVLUYNQDN-GFCCVEGCSA-N
MW249.31 g/mol
LogP0.22
Rot. Bonds4

About (2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid

(2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid (PubChem CID 177277413) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid
PubChem CID177277413
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid
SMILESN[C@H](CN1CCN(c2ccccc2)CC1)C(=O)O
InChIInChI=1S/C13H19N3O2/c14-12(13(17)18)10-15-6-8-16(9-7-15)11-4-2-1-3-5-11/h1-5,12H,6-10,14H2,(H,17,18)/t12-/m1/s1
InChIKeyYDLODJVLUYNQDN-GFCCVEGCSA-N
XLogP0.22
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-amino-3-(4-phenylpiperazin-1-yl)propanoate
CID 174641215
2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid
CID 19433570
(2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine
CID 22689467
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
ethyl 3-hydroxy-4-(4-phenylpiperazin-1-yl)butanoate
CID 82771388
(2S)-4-anilino-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]butanoic acid
CID 52900648
2-amino-3-(4-methylpiperazin-1-yl)propanoic acid
CID 10611336
(2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid
CID 138475703
(2R)-2-amino-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide;trihydrochloride
CID 119902129
1-phenyl-4-[(2R)-2-phenylpropyl]piperazine
CID 782660
1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 97019834
2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one
CID 43650090

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid (CID 177277413) is (2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid is N[C@H](CN1CCN(c2ccccc2)CC1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid?
The InChIKey is YDLODJVLUYNQDN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-12(13(17)18)10-15-6-8-16(9-7-15)11-4-2-1-3-5-11/h1-5,12H,6-10,14H2,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid?
(2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 177277413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).