2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid

C10H19N3O3 — CID 83990081

IUPAC2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid
SMILESCNC1CC(CC(=O)O)CN(CC(N)=O)C1
InChIInChI=1S/C10H19N3O3/c1-12-8-2-7(3-10(15)16)4-13(5-8)6-9(11)14/h7-8,12H,2-6H2,1H3,(H2,11,14)(H,15,16)
InChIKeyREAHYNNHWMHMJA-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.14
Rot. Bonds5

About 2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid

2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid (PubChem CID 83990081) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid
PubChem CID83990081
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid
SMILESCNC1CC(CC(=O)O)CN(CC(N)=O)C1
InChIInChI=1S/C10H19N3O3/c1-12-8-2-7(3-10(15)16)4-13(5-8)6-9(11)14/h7-8,12H,2-6H2,1H3,(H2,11,14)(H,15,16)
InChIKeyREAHYNNHWMHMJA-UHFFFAOYSA-N
XLogP-1.14
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-amino-2-oxoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetic acid
CID 112543553
2-[1-(cyclopropylmethyl)-5-(methylamino)piperidin-3-yl]acetic acid
CID 83989945
2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
CID 83989664
methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate
CID 83991990
2-[3-(2-hydroxyethyl)-5-(methylamino)piperidin-1-yl]acetic acid
CID 83990025
methyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate
CID 83991353
methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate
CID 83999600
3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid
CID 83996834
2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 74958986
2-[1-(carboxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetic acid
CID 112544777
2-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]acetamide
CID 83991982
ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544185

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid (CID 83990081) is 2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid is CNC1CC(CC(=O)O)CN(CC(N)=O)C1.
What is the InChIKey of 2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid?
The InChIKey is REAHYNNHWMHMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-12-8-2-7(3-10(15)16)4-13(5-8)6-9(11)14/h7-8,12H,2-6H2,1H3,(H2,11,14)(H,15,16).
What are the key properties of 2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid?
2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid has a molecular weight of 229.28 g/mol, XLogP of -1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid is sourced from PubChem (CID 83990081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).