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

C10H17N3O5 — CID 79478909

IUPAC2-[1-[2-(2-aminoethoxy)acetyl]-3-oxopiperazin-2-yl]acetic acid
SMILESNCCOCC(=O)N1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C10H17N3O5/c11-1-4-18-6-8(14)13-3-2-12-10(17)7(13)5-9(15)16/h7H,1-6,11H2,(H,12,17)(H,15,16)
InChIKeyMURSJGRHBXSPLB-UHFFFAOYSA-N
MW259.26 g/mol
LogP-2.24
Rot. Bonds6

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

2-[1-[2-(2-aminoethoxy)acetyl]-3-oxopiperazin-2-yl]acetic acid (PubChem CID 79478909) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[1-[2-(2-aminoethoxy)acetyl]-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-aminoethoxy)acetyl]-3-oxopiperazin-2-yl]acetic acid
PubChem CID79478909
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name2-[1-[2-(2-aminoethoxy)acetyl]-3-oxopiperazin-2-yl]acetic acid
SMILESNCCOCC(=O)N1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C10H17N3O5/c11-1-4-18-6-8(14)13-3-2-12-10(17)7(13)5-9(15)16/h7H,1-6,11H2,(H,12,17)(H,15,16)
InChIKeyMURSJGRHBXSPLB-UHFFFAOYSA-N
XLogP-2.24
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-2.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-(1-methoxycyclobutyl)acetyl]-3-oxopiperazin-2-yl]acetic acid
CID 103555657
4-[2-(2-decoxy-2-oxoethyl)-3-oxopiperazin-1-yl]-4-oxobutanoic acid
CID 17093824
2-[3-oxo-1-[2-(prop-2-enylamino)acetyl]piperazin-2-yl]acetic acid
CID 79278410
pentyl 2-[(2S)-1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 93083224
2-[1-[2-(carbamoylamino)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid
CID 83114279
3-phenylpropyl 2-[(2R)-1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 93083201
dodecyl 2-[1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 46736621
pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate
CID 54789180

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-aminoethoxy)acetyl]-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-aminoethoxy)acetyl]-3-oxopiperazin-2-yl]acetic acid (CID 79478909) is 2-[1-[2-(2-aminoethoxy)acetyl]-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-aminoethoxy)acetyl]-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-aminoethoxy)acetyl]-3-oxopiperazin-2-yl]acetic acid is NCCOCC(=O)N1CCNC(=O)C1CC(=O)O.
What is the InChIKey of 2-[1-[2-(2-aminoethoxy)acetyl]-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is MURSJGRHBXSPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c11-1-4-18-6-8(14)13-3-2-12-10(17)7(13)5-9(15)16/h7H,1-6,11H2,(H,12,17)(H,15,16).
What are the key properties of 2-[1-[2-(2-aminoethoxy)acetyl]-3-oxopiperazin-2-yl]acetic acid?
2-[1-[2-(2-aminoethoxy)acetyl]-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 259.26 g/mol, XLogP of -2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-aminoethoxy)acetyl]-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 79478909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).