2-[4-(2-amino-2-oxoethyl)piperidin-4-yl]acetic acid

C9H16N2O3 — CID 70955898

IUPAC2-[4-(2-amino-2-oxoethyl)piperidin-4-yl]acetic acid
SMILESNC(=O)CC1(CC(=O)O)CCNCC1
InChIInChI=1S/C9H16N2O3/c10-7(12)5-9(6-8(13)14)1-3-11-4-2-9/h11H,1-6H2,(H2,10,12)(H,13,14)
InChIKeyATIBWQCVVGXOHA-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.29
Rot. Bonds4

About 2-[4-(2-amino-2-oxoethyl)piperidin-4-yl]acetic acid

2-[4-(2-amino-2-oxoethyl)piperidin-4-yl]acetic acid (PubChem CID 70955898) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[4-(2-amino-2-oxoethyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-amino-2-oxoethyl)piperidin-4-yl]acetic acid
PubChem CID70955898
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[4-(2-amino-2-oxoethyl)piperidin-4-yl]acetic acid
SMILESNC(=O)CC1(CC(=O)O)CCNCC1
InChIInChI=1S/C9H16N2O3/c10-7(12)5-9(6-8(13)14)1-3-11-4-2-9/h11H,1-6H2,(H2,10,12)(H,13,14)
InChIKeyATIBWQCVVGXOHA-UHFFFAOYSA-N
XLogP-0.29
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-oxoethyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[4-(2-amino-2-oxoethyl)piperidin-4-yl]acetic acid (CID 70955898) is 2-[4-(2-amino-2-oxoethyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-amino-2-oxoethyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[4-(2-amino-2-oxoethyl)piperidin-4-yl]acetic acid is NC(=O)CC1(CC(=O)O)CCNCC1.
What is the InChIKey of 2-[4-(2-amino-2-oxoethyl)piperidin-4-yl]acetic acid?
The InChIKey is ATIBWQCVVGXOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c10-7(12)5-9(6-8(13)14)1-3-11-4-2-9/h11H,1-6H2,(H2,10,12)(H,13,14).
What are the key properties of 2-[4-(2-amino-2-oxoethyl)piperidin-4-yl]acetic acid?
2-[4-(2-amino-2-oxoethyl)piperidin-4-yl]acetic acid has a molecular weight of 200.24 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-oxoethyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 70955898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).