(2S)-2-amino-5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanoic acid

C12H21N3O3 — CID 23007926

IUPAC(2S)-2-amino-5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanoic acid
SMILESC=CCN1CCN(C(=O)CC[C@H](N)C(=O)O)CC1
InChIInChI=1S/C12H21N3O3/c1-2-5-14-6-8-15(9-7-14)11(16)4-3-10(13)12(17)18/h2,10H,1,3-9,13H2,(H,17,18)/t10-/m0/s1
InChIKeySYBQATVAHXNDFK-JTQLQIEISA-N
MW255.32 g/mol
LogP-0.49
Rot. Bonds6

About (2S)-2-amino-5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanoic acid

(2S)-2-amino-5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanoic acid (PubChem CID 23007926) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2S)-2-amino-5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanoic acid
PubChem CID23007926
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name(2S)-2-amino-5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanoic acid
SMILESC=CCN1CCN(C(=O)CC[C@H](N)C(=O)O)CC1
InChIInChI=1S/C12H21N3O3/c1-2-5-14-6-8-15(9-7-14)11(16)4-3-10(13)12(17)18/h2,10H,1,3-9,13H2,(H,17,18)/t10-/m0/s1
InChIKeySYBQATVAHXNDFK-JTQLQIEISA-N
XLogP-0.49
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanoic acid (CID 23007926) is (2S)-2-amino-5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanoic acid is C=CCN1CCN(C(=O)CC[C@H](N)C(=O)O)CC1.
What is the InChIKey of (2S)-2-amino-5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanoic acid?
The InChIKey is SYBQATVAHXNDFK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N3O3/c1-2-5-14-6-8-15(9-7-14)11(16)4-3-10(13)12(17)18/h2,10H,1,3-9,13H2,(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanoic acid?
(2S)-2-amino-5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanoic acid has a molecular weight of 255.32 g/mol, XLogP of -0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 23007926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).