2-[1-[2-[(2-aminoacetyl)amino]acetyl]piperidin-4-yl]acetic acid

C11H19N3O4 — CID 79615805

IUPAC2-[1-[2-[(2-aminoacetyl)amino]acetyl]piperidin-4-yl]acetic acid
SMILESNCC(=O)NCC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C11H19N3O4/c12-6-9(15)13-7-10(16)14-3-1-8(2-4-14)5-11(17)18/h8H,1-7,12H2,(H,13,15)(H,17,18)
InChIKeySLFFRUVBWPLCLT-UHFFFAOYSA-N
MW257.29 g/mol
LogP-1.23
Rot. Bonds5

About 2-[1-[2-[(2-aminoacetyl)amino]acetyl]piperidin-4-yl]acetic acid

2-[1-[2-[(2-aminoacetyl)amino]acetyl]piperidin-4-yl]acetic acid (PubChem CID 79615805) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[1-[2-[(2-aminoacetyl)amino]acetyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(2-aminoacetyl)amino]acetyl]piperidin-4-yl]acetic acid
PubChem CID79615805
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[1-[2-[(2-aminoacetyl)amino]acetyl]piperidin-4-yl]acetic acid
SMILESNCC(=O)NCC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C11H19N3O4/c12-6-9(15)13-7-10(16)14-3-1-8(2-4-14)5-11(17)18/h8H,1-7,12H2,(H,13,15)(H,17,18)
InChIKeySLFFRUVBWPLCLT-UHFFFAOYSA-N
XLogP-1.23
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60848653
2-[1-[2-(cyclopropylamino)acetyl]piperidin-4-yl]acetic acid
CID 79615447
2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid
CID 79615592
2-amino-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 114678319
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
CID 119373641
2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 107220699
2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60847225
2-amino-N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 60946727
2-amino-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 60847921
2-[1-[2-[(4-chlorophenyl)methylcarbamoylamino]acetyl]piperidin-4-yl]acetic acid
CID 119178610
2-amino-N-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]acetamide
CID 54916224
4-[2-[(2-aminoacetyl)amino]acetyl]-N,N-dimethylpiperazine-1-carboxamide
CID 54872734

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2-aminoacetyl)amino]acetyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-[(2-aminoacetyl)amino]acetyl]piperidin-4-yl]acetic acid (CID 79615805) is 2-[1-[2-[(2-aminoacetyl)amino]acetyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(2-aminoacetyl)amino]acetyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-[(2-aminoacetyl)amino]acetyl]piperidin-4-yl]acetic acid is NCC(=O)NCC(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-[(2-aminoacetyl)amino]acetyl]piperidin-4-yl]acetic acid?
The InChIKey is SLFFRUVBWPLCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c12-6-9(15)13-7-10(16)14-3-1-8(2-4-14)5-11(17)18/h8H,1-7,12H2,(H,13,15)(H,17,18).
What are the key properties of 2-[1-[2-[(2-aminoacetyl)amino]acetyl]piperidin-4-yl]acetic acid?
2-[1-[2-[(2-aminoacetyl)amino]acetyl]piperidin-4-yl]acetic acid has a molecular weight of 257.29 g/mol, XLogP of -1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(2-aminoacetyl)amino]acetyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79615805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).