2-amino-2-(3-oxocyclobutyl)acetic acid

C6H9NO3 — CID 121208056

IUPAC2-amino-2-(3-oxocyclobutyl)acetic acid
SMILESNC(C(=O)O)C1CC(=O)C1
InChIInChI=1S/C6H9NO3/c7-5(6(9)10)3-1-4(8)2-3/h3,5H,1-2,7H2,(H,9,10)
InChIKeyCSLGAHOPMYPZGP-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.62
Rot. Bonds2

About 2-amino-2-(3-oxocyclobutyl)acetic acid

2-amino-2-(3-oxocyclobutyl)acetic acid (PubChem CID 121208056) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-amino-2-(3-oxocyclobutyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-oxocyclobutyl)acetic acid
PubChem CID121208056
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-amino-2-(3-oxocyclobutyl)acetic acid
SMILESNC(C(=O)O)C1CC(=O)C1
InChIInChI=1S/C6H9NO3/c7-5(6(9)10)3-1-4(8)2-3/h3,5H,1-2,7H2,(H,9,10)
InChIKeyCSLGAHOPMYPZGP-UHFFFAOYSA-N
XLogP-0.62
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(3-oxocyclobutyl)acetic acid
CID 129493888
(2S)-2-amino-2-(4-methylcyclohexyl)acetic acid
CID 57462435
2-[2-(dicarboxymethyl)-4-oxocyclopentyl]propanedioic acid
CID 175344849
2-amino-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetic acid
CID 175065777
(2R)-2-amino-2-(3,3-difluorocyclobutyl)acetic acid;hydrochloride
CID 135392975
(2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid
CID 98088562
(2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid
CID 14962798
2-aminoacetic acid;(2S)-2-amino-2-cyclopentylacetic acid
CID 157474717
2-amino-2-(5-methyloxolan-3-yl)acetic acid
CID 170558301
2-amino-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetic acid
CID 57096388
2-amino-2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetic acid;hydrochloride
CID 167742178
(2S)-2-amino-2-(oxan-3-yl)acetic acid
CID 107134850

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-oxocyclobutyl)acetic acid?
The IUPAC name of 2-amino-2-(3-oxocyclobutyl)acetic acid (CID 121208056) is 2-amino-2-(3-oxocyclobutyl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-oxocyclobutyl)acetic acid?
The canonical SMILES for 2-amino-2-(3-oxocyclobutyl)acetic acid is NC(C(=O)O)C1CC(=O)C1.
What is the InChIKey of 2-amino-2-(3-oxocyclobutyl)acetic acid?
The InChIKey is CSLGAHOPMYPZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c7-5(6(9)10)3-1-4(8)2-3/h3,5H,1-2,7H2,(H,9,10).
What are the key properties of 2-amino-2-(3-oxocyclobutyl)acetic acid?
2-amino-2-(3-oxocyclobutyl)acetic acid has a molecular weight of 143.14 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-oxocyclobutyl)acetic acid is sourced from PubChem (CID 121208056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).