2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetic acid

C11H19N3O3 — CID 43397409

IUPAC2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetic acid
SMILESC=CCNC(=O)CN1CCN(CC(=O)O)CC1
InChIInChI=1S/C11H19N3O3/c1-2-3-12-10(15)8-13-4-6-14(7-5-13)9-11(16)17/h2H,1,3-9H2,(H,12,15)(H,16,17)
InChIKeyKGYPXYYQMKXIMF-UHFFFAOYSA-N
MW241.29 g/mol
LogP-1.01
Rot. Bonds6

About 2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetic acid

2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetic acid (PubChem CID 43397409) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetic acid
PubChem CID43397409
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetic acid
SMILESC=CCNC(=O)CN1CCN(CC(=O)O)CC1
InChIInChI=1S/C11H19N3O3/c1-2-3-12-10(15)8-13-4-6-14(7-5-13)9-11(16)17/h2H,1,3-9H2,(H,12,15)(H,16,17)
InChIKeyKGYPXYYQMKXIMF-UHFFFAOYSA-N
XLogP-1.01
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide
CID 8893273
2-[[2-Oxo-2-(prop-2-enylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258860
2-[Prop-2-enyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]acetic acid
CID 79264796
2-[[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]-prop-2-enylamino]acetic acid
CID 79275747
2-[[2-(Prop-2-enylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79279725
2-[Bis(prop-2-enyl)amino]-1-piperazin-1-ylethanone
CID 39255128
2-[4,10-Bis(carboxymethyl)-2,12-dioxo-1,4,7,10,13-pentazacycloheptadec-15-en-7-yl]acetic acid
CID 54379393
Bis(prop-2-enyl)carbamic acid;piperazine
CID 67613409
2-[(15Z)-4,10-bis(carboxymethyl)-2,12-dioxo-1,4,7,10,13-pentazacycloheptadec-15-en-7-yl]acetic acid
CID 67734891
4-(2-Hydroxyprop-2-enyl)piperazin-2-one
CID 69607643
2-[(2-Aminoacetyl)-prop-2-enylamino]acetic acid
CID 79261877
2-[2-[Bis(prop-2-enyl)amino]ethylamino]acetic acid;hydrochloride
CID 87328650

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetic acid (CID 43397409) is 2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetic acid is C=CCNC(=O)CN1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetic acid?
The InChIKey is KGYPXYYQMKXIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-2-3-12-10(15)8-13-4-6-14(7-5-13)9-11(16)17/h2H,1,3-9H2,(H,12,15)(H,16,17).
What are the key properties of 2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetic acid?
2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetic acid has a molecular weight of 241.29 g/mol, XLogP of -1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 43397409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).