2-[cyclopentyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid

C12H19N3O4 — CID 107435593

IUPAC2-[cyclopentyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1CNC(=O)CN1)C1CCCC1
InChIInChI=1S/C12H19N3O4/c16-10-6-13-9(5-14-10)12(19)15(7-11(17)18)8-3-1-2-4-8/h8-9,13H,1-7H2,(H,14,16)(H,17,18)
InChIKeyBFHHWBPGKGLEKQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.07
Rot. Bonds4

About 2-[cyclopentyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid

2-[cyclopentyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid (PubChem CID 107435593) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[cyclopentyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid
PubChem CID107435593
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[cyclopentyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1CNC(=O)CN1)C1CCCC1
InChIInChI=1S/C12H19N3O4/c16-10-6-13-9(5-14-10)12(19)15(7-11(17)18)8-3-1-2-4-8/h8-9,13H,1-7H2,(H,14,16)(H,17,18)
InChIKeyBFHHWBPGKGLEKQ-UHFFFAOYSA-N
XLogP-1.07
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5-oxopiperazine-2-carboxamide
CID 107435385
N-cyclopropyl-5-oxo-N-propylpiperazine-2-carboxamide
CID 107433788
ethyl 2-[cyclopropyl-(5-oxopiperazine-2-carbonyl)amino]acetate
CID 107435393
2-[cyclopentyl(piperidine-2-carbonyl)amino]acetic acid
CID 61159763
2-[cyclopentyl(pyrrolidine-2-carbonyl)amino]acetic acid
CID 61159569
2-[cyclopentyl-[(2R)-piperidine-2-carbonyl]amino]acetic acid
CID 104913615
2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid
CID 107436420
2-[cyclopentyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 60826938
N-ethyl-N-methyl-5-oxopiperazine-2-carboxamide
CID 107433774
N-(4-ethylcyclohexyl)-N-methyl-5-oxopiperazine-2-carboxamide
CID 107435465
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-oxopiperazine-2-carboxamide
CID 107435078
2-[cyclopentyl(pyrrolidine-3-carbonyl)amino]acetic acid
CID 63005463

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid (CID 107435593) is 2-[cyclopentyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)C1CNC(=O)CN1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid?
The InChIKey is BFHHWBPGKGLEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c16-10-6-13-9(5-14-10)12(19)15(7-11(17)18)8-3-1-2-4-8/h8-9,13H,1-7H2,(H,14,16)(H,17,18).
What are the key properties of 2-[cyclopentyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid?
2-[cyclopentyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid has a molecular weight of 269.30 g/mol, XLogP of -1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 107435593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).