2-[[3-[[4-(2-ethoxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid

C17H32N4O4 — CID 122025527

IUPAC2-[[3-[[4-(2-ethoxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCOCCN1CCN(C(=O)NC2CC(N(CC)CC(=O)O)C2)CC1
InChIInChI=1S/C17H32N4O4/c1-3-20(13-16(22)23)15-11-14(12-15)18-17(24)21-7-5-19(6-8-21)9-10-25-4-2/h14-15H,3-13H2,1-2H3,(H,18,24)(H,22,23)
InChIKeySRUSAKRPOWPJDD-UHFFFAOYSA-N
MW356.47 g/mol
LogP0.29
Rot. Bonds9

About 2-[[3-[[4-(2-ethoxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[[4-(2-ethoxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122025527) has the molecular formula C17H32N4O4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[[3-[[4-(2-ethoxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[4-(2-ethoxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122025527
Molecular FormulaC17H32N4O4
Molecular Weight356.47 g/mol
Exact Mass356.24
IUPAC Name2-[[3-[[4-(2-ethoxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCOCCN1CCN(C(=O)NC2CC(N(CC)CC(=O)O)C2)CC1
InChIInChI=1S/C17H32N4O4/c1-3-20(13-16(22)23)15-11-14(12-15)18-17(24)21-7-5-19(6-8-21)9-10-25-4-2/h14-15H,3-13H2,1-2H3,(H,18,24)(H,22,23)
InChIKeySRUSAKRPOWPJDD-UHFFFAOYSA-N
XLogP0.29
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl-[3-[[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026344
2-[ethyl-[3-[(4-ethyl-1,4-diazepane-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122026148
2-[ethyl-[3-[[4-(3-pyrrolidin-1-ylpropyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026129
2-[[3-[[4-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122026870
2-[[3-[(4-cyclobutylpiperazine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122025483
2-[[3-[(4-cyclopentyloxypiperidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122026751
2-[[3-[(3-cyclopropylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122025748
2-[ethyl-[3-[[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122025782
2-[ethyl-[3-[[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122025529
2-[ethyl-[3-[(2-methylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122025885
2-[ethyl-[3-[[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122025408
2-[[3-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]-ethylamino]acetic acid
CID 122026644

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[4-(2-ethoxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[[4-(2-ethoxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid (CID 122025527) is 2-[[3-[[4-(2-ethoxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[[4-(2-ethoxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[[4-(2-ethoxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid is CCOCCN1CCN(C(=O)NC2CC(N(CC)CC(=O)O)C2)CC1.
What is the InChIKey of 2-[[3-[[4-(2-ethoxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is SRUSAKRPOWPJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O4/c1-3-20(13-16(22)23)15-11-14(12-15)18-17(24)21-7-5-19(6-8-21)9-10-25-4-2/h14-15H,3-13H2,1-2H3,(H,18,24)(H,22,23).
What are the key properties of 2-[[3-[[4-(2-ethoxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[[4-(2-ethoxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 356.47 g/mol, XLogP of 0.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[4-(2-ethoxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122025527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).