1-[[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]amino]cyclobutane-1-carboxylic acid

C14H25N3O4 — CID 81156236

IUPAC1-[[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESCC(C)(O)CN1CCN(C(=O)NC2(C(=O)O)CCC2)CC1
InChIInChI=1S/C14H25N3O4/c1-13(2,21)10-16-6-8-17(9-7-16)12(20)15-14(11(18)19)4-3-5-14/h21H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyREBARNYOZFONND-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.09
Rot. Bonds4

About 1-[[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]amino]cyclobutane-1-carboxylic acid

1-[[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81156236) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81156236
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name1-[[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESCC(C)(O)CN1CCN(C(=O)NC2(C(=O)O)CCC2)CC1
InChIInChI=1S/C14H25N3O4/c1-13(2,21)10-16-6-8-17(9-7-16)12(20)15-14(11(18)19)4-3-5-14/h21H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyREBARNYOZFONND-UHFFFAOYSA-N
XLogP0.09
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]amino]cyclobutane-1-carboxylic acid (CID 81156236) is 1-[[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]amino]cyclobutane-1-carboxylic acid is CC(C)(O)CN1CCN(C(=O)NC2(C(=O)O)CCC2)CC1.
What is the InChIKey of 1-[[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is REBARNYOZFONND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-13(2,21)10-16-6-8-17(9-7-16)12(20)15-14(11(18)19)4-3-5-14/h21H,3-10H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 1-[[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]amino]cyclobutane-1-carboxylic acid?
1-[[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81156236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).