2-[1-(cyclobutanecarbonyl)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]acetic acid

C15H22N2O4 — CID 110284364

IUPAC2-[1-(cyclobutanecarbonyl)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)N(CC2CC2)CCN1C(=O)C1CCC1
InChIInChI=1S/C15H22N2O4/c18-13(19)8-12-15(21)16(9-10-4-5-10)6-7-17(12)14(20)11-2-1-3-11/h10-12H,1-9H2,(H,18,19)
InChIKeyMFCBCEVCORFESD-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.71
Rot. Bonds5

About 2-[1-(cyclobutanecarbonyl)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]acetic acid

2-[1-(cyclobutanecarbonyl)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 110284364) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-(cyclobutanecarbonyl)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclobutanecarbonyl)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID110284364
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[1-(cyclobutanecarbonyl)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)N(CC2CC2)CCN1C(=O)C1CCC1
InChIInChI=1S/C15H22N2O4/c18-13(19)8-12-15(21)16(9-10-4-5-10)6-7-17(12)14(20)11-2-1-3-11/h10-12H,1-9H2,(H,18,19)
InChIKeyMFCBCEVCORFESD-UHFFFAOYSA-N
XLogP0.71
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cyclobutanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid
CID 110284362
2-[1-(cyclopentanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid
CID 110284379
2-[1-benzoyl-4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284320
2-[1-(cyclobutanecarbonyl)-4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 110284376
2-[1-(cyclopentanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid
CID 110284378
2-[1-(cyclobutanecarbonyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 110284377
2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284355
2-[4-(cyclobutylmethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid
CID 110284122
2-[1-(cyclopropanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid
CID 110284344
2-[4-(cyclopropylmethyl)-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284433
2-[4-(cyclobutylmethyl)-1-(furan-2-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284219
2-[1-(2-aminoacetyl)-4-(carboxymethyl)-3-oxopiperazin-2-yl]acetic acid
CID 19094652

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutanecarbonyl)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(cyclobutanecarbonyl)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]acetic acid (CID 110284364) is 2-[1-(cyclobutanecarbonyl)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclobutanecarbonyl)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclobutanecarbonyl)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]acetic acid is O=C(O)CC1C(=O)N(CC2CC2)CCN1C(=O)C1CCC1.
What is the InChIKey of 2-[1-(cyclobutanecarbonyl)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is MFCBCEVCORFESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-13(19)8-12-15(21)16(9-10-4-5-10)6-7-17(12)14(20)11-2-1-3-11/h10-12H,1-9H2,(H,18,19).
What are the key properties of 2-[1-(cyclobutanecarbonyl)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(cyclobutanecarbonyl)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutanecarbonyl)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 110284364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).