2-[4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperazin-1-yl]acetic acid

C11H20N4O4 — CID 103103574

IUPAC2-[4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperazin-1-yl]acetic acid
SMILESCCN(CC(N)=O)C(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C11H20N4O4/c1-2-14(7-9(12)16)11(19)15-5-3-13(4-6-15)8-10(17)18/h2-8H2,1H3,(H2,12,16)(H,17,18)
InChIKeyKHGDTRSWHZIRBK-UHFFFAOYSA-N
MW272.30 g/mol
LogP-1.38
Rot. Bonds5

About 2-[4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperazin-1-yl]acetic acid

2-[4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperazin-1-yl]acetic acid (PubChem CID 103103574) has the molecular formula C11H20N4O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperazin-1-yl]acetic acid
PubChem CID103103574
Molecular FormulaC11H20N4O4
Molecular Weight272.30 g/mol
Exact Mass272.15
IUPAC Name2-[4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperazin-1-yl]acetic acid
SMILESCCN(CC(N)=O)C(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C11H20N4O4/c1-2-14(7-9(12)16)11(19)15-5-3-13(4-6-15)8-10(17)18/h2-8H2,1H3,(H2,12,16)(H,17,18)
InChIKeyKHGDTRSWHZIRBK-UHFFFAOYSA-N
XLogP-1.38
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide
CID 103101659
2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61447579
4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide
CID 79161963
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43397406
2-[1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]azetidin-3-yl]acetic acid
CID 103103337
2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
CID 61187489
2-[4-[2-ethoxyethyl(ethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 63691291
2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 61200830
2-[(2-amino-2-oxoethyl)-(4-propan-2-ylpiperazine-1-carbonyl)amino]acetic acid
CID 107438046
2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperazine-1-carbonyl)amino]acetic acid
CID 107438191
2-[4-(2-amino-2-oxoethyl)-7-(carboxymethyl)-10-ethyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 170568686
(3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid
CID 103103373

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperazin-1-yl]acetic acid (CID 103103574) is 2-[4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperazin-1-yl]acetic acid is CCN(CC(N)=O)C(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperazin-1-yl]acetic acid?
The InChIKey is KHGDTRSWHZIRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4/c1-2-14(7-9(12)16)11(19)15-5-3-13(4-6-15)8-10(17)18/h2-8H2,1H3,(H2,12,16)(H,17,18).
What are the key properties of 2-[4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperazin-1-yl]acetic acid?
2-[4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperazin-1-yl]acetic acid has a molecular weight of 272.30 g/mol, XLogP of -1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 103103574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).