2-(4-amino-2-oxopiperidin-4-yl)acetic acid

C7H12N2O3 — CID 77219916

IUPAC2-(4-amino-2-oxopiperidin-4-yl)acetic acid
SMILESNC1(CC(=O)O)CCNC(=O)C1
InChIInChI=1S/C7H12N2O3/c8-7(4-6(11)12)1-2-9-5(10)3-7/h1-4,8H2,(H,9,10)(H,11,12)
InChIKeyAXRADACPLUIKEH-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.93
Rot. Bonds2

About 2-(4-amino-2-oxopiperidin-4-yl)acetic acid

2-(4-amino-2-oxopiperidin-4-yl)acetic acid (PubChem CID 77219916) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-(4-amino-2-oxopiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-2-oxopiperidin-4-yl)acetic acid
PubChem CID77219916
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-(4-amino-2-oxopiperidin-4-yl)acetic acid
SMILESNC1(CC(=O)O)CCNC(=O)C1
InChIInChI=1S/C7H12N2O3/c8-7(4-6(11)12)1-2-9-5(10)3-7/h1-4,8H2,(H,9,10)(H,11,12)
InChIKeyAXRADACPLUIKEH-UHFFFAOYSA-N
XLogP-0.93
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopiperidin-4-yl)acetic acid
CID 18379201
2-(4-aminopiperidin-4-yl)acetic acid;hydrochloride
CID 138111407
3-amino-5-oxopyrrolidine-3-carboxylic acid
CID 162691228
2-(1-amino-4-methylcyclohexyl)acetic acid
CID 64664304
2-(1-amino-3,3-dimethylcyclopentyl)acetic acid
CID 80698917
6-azaspiro[2.5]octan-7-one;ethane
CID 144760089
2-(1-amino-3-tert-butylcyclobutyl)acetic acid
CID 174479770
2-(4-aminopiperidin-4-yl)acetamide
CID 83682139
(3R)-2-oxo-3-prop-2-enylpyrrolidine-3-carboxylic acid
CID 125425353
2-(3-aminooxan-3-yl)acetic acid
CID 64666864
(4S)-4-methyl-7-oxoazepane-4-carboxylic acid
CID 99985735
4,4-dimethoxypiperidin-2-one
CID 150731285

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-oxopiperidin-4-yl)acetic acid?
The IUPAC name of 2-(4-amino-2-oxopiperidin-4-yl)acetic acid (CID 77219916) is 2-(4-amino-2-oxopiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-(4-amino-2-oxopiperidin-4-yl)acetic acid?
The canonical SMILES for 2-(4-amino-2-oxopiperidin-4-yl)acetic acid is NC1(CC(=O)O)CCNC(=O)C1.
What is the InChIKey of 2-(4-amino-2-oxopiperidin-4-yl)acetic acid?
The InChIKey is AXRADACPLUIKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c8-7(4-6(11)12)1-2-9-5(10)3-7/h1-4,8H2,(H,9,10)(H,11,12).
What are the key properties of 2-(4-amino-2-oxopiperidin-4-yl)acetic acid?
2-(4-amino-2-oxopiperidin-4-yl)acetic acid has a molecular weight of 172.18 g/mol, XLogP of -0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-oxopiperidin-4-yl)acetic acid is sourced from PubChem (CID 77219916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).