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

C6H9NO3 — CID 129493888

IUPAC(2S)-2-amino-2-(3-oxocyclobutyl)acetic acid
SMILESN[C@H](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)/t5-/m0/s1
InChIKeyCSLGAHOPMYPZGP-YFKPBYRVSA-N
MW143.14 g/mol
LogP-0.62
Rot. Bonds2

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

(2S)-2-amino-2-(3-oxocyclobutyl)acetic acid (PubChem CID 129493888) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-oxocyclobutyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-oxocyclobutyl)acetic acid
PubChem CID129493888
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(2S)-2-amino-2-(3-oxocyclobutyl)acetic acid
SMILESN[C@H](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)/t5-/m0/s1
InChIKeyCSLGAHOPMYPZGP-YFKPBYRVSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-oxocyclobutyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(3-oxocyclobutyl)acetic acid (CID 129493888) is (2S)-2-amino-2-(3-oxocyclobutyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(3-oxocyclobutyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(3-oxocyclobutyl)acetic acid is N[C@H](C(=O)O)C1CC(=O)C1.
What is the InChIKey of (2S)-2-amino-2-(3-oxocyclobutyl)acetic acid?
The InChIKey is CSLGAHOPMYPZGP-YFKPBYRVSA-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)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-2-(3-oxocyclobutyl)acetic acid?
(2S)-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 (2S)-2-amino-2-(3-oxocyclobutyl)acetic acid is sourced from PubChem (CID 129493888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).