2-[1-[2-(1-methoxycyclobutyl)acetyl]-3-oxopiperazin-2-yl]acetic acid

C13H20N2O5 — CID 103555657

IUPAC2-[1-[2-(1-methoxycyclobutyl)acetyl]-3-oxopiperazin-2-yl]acetic acid
SMILESCOC1(CC(=O)N2CCNC(=O)C2CC(=O)O)CCC1
InChIInChI=1S/C13H20N2O5/c1-20-13(3-2-4-13)8-10(16)15-6-5-14-12(19)9(15)7-11(17)18/h9H,2-8H2,1H3,(H,14,19)(H,17,18)
InChIKeyKSNWDWCCKMTISB-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.25
Rot. Bonds5

About 2-[1-[2-(1-methoxycyclobutyl)acetyl]-3-oxopiperazin-2-yl]acetic acid

2-[1-[2-(1-methoxycyclobutyl)acetyl]-3-oxopiperazin-2-yl]acetic acid (PubChem CID 103555657) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[1-[2-(1-methoxycyclobutyl)acetyl]-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(1-methoxycyclobutyl)acetyl]-3-oxopiperazin-2-yl]acetic acid
PubChem CID103555657
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name2-[1-[2-(1-methoxycyclobutyl)acetyl]-3-oxopiperazin-2-yl]acetic acid
SMILESCOC1(CC(=O)N2CCNC(=O)C2CC(=O)O)CCC1
InChIInChI=1S/C13H20N2O5/c1-20-13(3-2-4-13)8-10(16)15-6-5-14-12(19)9(15)7-11(17)18/h9H,2-8H2,1H3,(H,14,19)(H,17,18)
InChIKeyKSNWDWCCKMTISB-UHFFFAOYSA-N
XLogP-0.25
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-aminocyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 65458641
2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid
CID 62032428
2-[1-(5-aminohexanoyl)-3-oxopiperazin-2-yl]acetic acid
CID 82851582
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid
CID 2756051
2-[1-[2-(2-aminoethoxy)acetyl]-3-oxopiperazin-2-yl]acetic acid
CID 79478909
4-[2-(1-methoxycyclobutyl)acetyl]-3-methylpiperazine-2,6-dione
CID 103557215
2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032410
2-[3-oxo-1-[2-(prop-2-enylamino)acetyl]piperazin-2-yl]acetic acid
CID 79278410
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-3-ethylpiperazin-2-one
CID 104678212
2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 105063202
4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one
CID 63600501
ethyl 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetate
CID 18524131

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-methoxycyclobutyl)acetyl]-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(1-methoxycyclobutyl)acetyl]-3-oxopiperazin-2-yl]acetic acid (CID 103555657) is 2-[1-[2-(1-methoxycyclobutyl)acetyl]-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(1-methoxycyclobutyl)acetyl]-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(1-methoxycyclobutyl)acetyl]-3-oxopiperazin-2-yl]acetic acid is COC1(CC(=O)N2CCNC(=O)C2CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[2-(1-methoxycyclobutyl)acetyl]-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is KSNWDWCCKMTISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-20-13(3-2-4-13)8-10(16)15-6-5-14-12(19)9(15)7-11(17)18/h9H,2-8H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-[1-[2-(1-methoxycyclobutyl)acetyl]-3-oxopiperazin-2-yl]acetic acid?
2-[1-[2-(1-methoxycyclobutyl)acetyl]-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 284.31 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-methoxycyclobutyl)acetyl]-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 103555657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).