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

C10H17N3O4 — CID 43521481

IUPAC2-[4-(2-acetamidoacetyl)piperazin-1-yl]acetic acid
SMILESCC(=O)NCC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C10H17N3O4/c1-8(14)11-6-9(15)13-4-2-12(3-5-13)7-10(16)17/h2-7H2,1H3,(H,11,14)(H,16,17)
InChIKeyFNJOJZVMEYXLJM-UHFFFAOYSA-N
MW243.26 g/mol
LogP-1.65
Rot. Bonds4

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

2-[4-(2-acetamidoacetyl)piperazin-1-yl]acetic acid (PubChem CID 43521481) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[4-(2-acetamidoacetyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-acetamidoacetyl)piperazin-1-yl]acetic acid
PubChem CID43521481
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[4-(2-acetamidoacetyl)piperazin-1-yl]acetic acid
SMILESCC(=O)NCC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C10H17N3O4/c1-8(14)11-6-9(15)13-4-2-12(3-5-13)7-10(16)17/h2-7H2,1H3,(H,11,14)(H,16,17)
InChIKeyFNJOJZVMEYXLJM-UHFFFAOYSA-N
XLogP-1.65
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-acetamidoethylcarbamoyl)piperazin-1-yl]acetic acid
CID 61201886
N-[2-(azetidin-1-yl)-2-oxoethyl]acetamide
CID 121325487
N-[2-(4-methoxypiperazin-1-yl)-2-oxoethyl]acetamide
CID 59857762
2-[4-[2-(cyclopentylamino)acetyl]piperazin-1-yl]acetic acid
CID 61161596
2-[4-(2-acetamidoethyl)-1,4-diazepan-1-yl]acetic acid
CID 62823632
2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]acetic acid
CID 112602025
2-[4,7-bis(carboxymethyl)-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 56946868
2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61206204
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid
CID 62638618
2-[4-[3-(methylamino)propanoyl]-1,4-diazepan-1-yl]acetic acid
CID 55118909
2-(4-heptanoylpiperazin-1-yl)acetic acid
CID 43521357

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-acetamidoacetyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-acetamidoacetyl)piperazin-1-yl]acetic acid (CID 43521481) is 2-[4-(2-acetamidoacetyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-acetamidoacetyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-acetamidoacetyl)piperazin-1-yl]acetic acid is CC(=O)NCC(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-(2-acetamidoacetyl)piperazin-1-yl]acetic acid?
The InChIKey is FNJOJZVMEYXLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-8(14)11-6-9(15)13-4-2-12(3-5-13)7-10(16)17/h2-7H2,1H3,(H,11,14)(H,16,17).
What are the key properties of 2-[4-(2-acetamidoacetyl)piperazin-1-yl]acetic acid?
2-[4-(2-acetamidoacetyl)piperazin-1-yl]acetic acid has a molecular weight of 243.26 g/mol, XLogP of -1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-acetamidoacetyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).