2-[1-[[(3-oxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid

C12H19N3O4 — CID 81161942

IUPAC2-[1-[[(3-oxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)N2CCNC(=O)C2)CCC1
InChIInChI=1S/C12H19N3O4/c16-9-7-15(5-4-13-9)11(19)14-8-12(2-1-3-12)6-10(17)18/h1-8H2,(H,13,16)(H,14,19)(H,17,18)
InChIKeyRFVIPGVBNZJINH-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.23
Rot. Bonds4

About 2-[1-[[(3-oxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid

2-[1-[[(3-oxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 81161942) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[1-[[(3-oxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(3-oxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
PubChem CID81161942
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[1-[[(3-oxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)N2CCNC(=O)C2)CCC1
InChIInChI=1S/C12H19N3O4/c16-9-7-15(5-4-13-9)11(19)14-8-12(2-1-3-12)6-10(17)18/h1-8H2,(H,13,16)(H,14,19)(H,17,18)
InChIKeyRFVIPGVBNZJINH-UHFFFAOYSA-N
XLogP-0.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(3-oxo-1,4-diazepane-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81162781
3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 61182862
N-ethyl-3-oxopiperazine-1-carboxamide
CID 53017572
4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 61183034
2-[1-[[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81157435
2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81162804
N-methyl-3-oxopiperazine-1-carboxamide
CID 53017571
2-[1-[(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81155971
5-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 65363801
2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81156098
2-[1-[[(3-carbamoylpiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81148975
N-hexyl-3-oxopiperazine-1-carboxamide
CID 134847041

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3-oxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(3-oxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid (CID 81161942) is 2-[1-[[(3-oxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(3-oxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(3-oxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)N2CCNC(=O)C2)CCC1.
What is the InChIKey of 2-[1-[[(3-oxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is RFVIPGVBNZJINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c16-9-7-15(5-4-13-9)11(19)14-8-12(2-1-3-12)6-10(17)18/h1-8H2,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-[1-[[(3-oxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(3-oxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 269.30 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3-oxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81161942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).