2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid

C9H15N3O4 — CID 64582295

IUPAC2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid
SMILESCC(=O)NC(CN1CCNC(=O)C1)C(=O)O
InChIInChI=1S/C9H15N3O4/c1-6(13)11-7(9(15)16)4-12-3-2-10-8(14)5-12/h7H,2-5H2,1H3,(H,10,14)(H,11,13)(H,15,16)
InChIKeyXZHWHZFQBHVLSM-UHFFFAOYSA-N
MW229.24 g/mol
LogP-1.99
Rot. Bonds4

About 2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid

2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid (PubChem CID 64582295) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid
PubChem CID64582295
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid
SMILESCC(=O)NC(CN1CCNC(=O)C1)C(=O)O
InChIInChI=1S/C9H15N3O4/c1-6(13)11-7(9(15)16)4-12-3-2-10-8(14)5-12/h7H,2-5H2,1H3,(H,10,14)(H,11,13)(H,15,16)
InChIKeyXZHWHZFQBHVLSM-UHFFFAOYSA-N
XLogP-1.99
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid (CID 64582295) is 2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid is CC(=O)NC(CN1CCNC(=O)C1)C(=O)O.
What is the InChIKey of 2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid?
The InChIKey is XZHWHZFQBHVLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-6(13)11-7(9(15)16)4-12-3-2-10-8(14)5-12/h7H,2-5H2,1H3,(H,10,14)(H,11,13)(H,15,16).
What are the key properties of 2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid?
2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid has a molecular weight of 229.24 g/mol, XLogP of -1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(3-oxopiperazin-1-yl)propanoic acid is sourced from PubChem (CID 64582295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).