2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid

C11H20N2O4 — CID 62590443

IUPAC2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid
SMILESCCOCCC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-2-17-8-3-10(14)13-6-4-12(5-7-13)9-11(15)16/h2-9H2,1H3,(H,15,16)
InChIKeyJOTOEQXSBWOVPF-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.36
Rot. Bonds6

About 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid

2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid (PubChem CID 62590443) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid
PubChem CID62590443
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid
SMILESCCOCCC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-2-17-8-3-10(14)13-6-4-12(5-7-13)9-11(15)16/h2-9H2,1H3,(H,15,16)
InChIKeyJOTOEQXSBWOVPF-UHFFFAOYSA-N
XLogP-0.36
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011838
3-ethoxy-1-piperidin-1-ylpropan-1-one
CID 63184381
2-(4-heptanoylpiperazin-1-yl)acetic acid
CID 43521357
4-ethoxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]butan-1-one
CID 78881730
1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid
CID 53211434
2-[4-[2-ethoxyethyl(ethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 63691291
2-[1-(3-ethoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869733
2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide
CID 95172406
2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]acetic acid
CID 112602025
1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 63337400
2-[4,7-bis(carboxymethyl)-10-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 177276720
4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one
CID 119843365

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid (CID 62590443) is 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid is CCOCCC(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid?
The InChIKey is JOTOEQXSBWOVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-17-8-3-10(14)13-6-4-12(5-7-13)9-11(15)16/h2-9H2,1H3,(H,15,16).
What are the key properties of 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid?
2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid has a molecular weight of 244.29 g/mol, XLogP of -0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 62590443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).