2-[(1S,2S)-1-(aminomethyl)-2-methylcyclobutyl]acetic acid

C8H15NO2 — CID 57289063

IUPAC2-[(1S,2S)-1-(aminomethyl)-2-methylcyclobutyl]acetic acid
SMILESC[C@H]1CC[C@]1(CN)CC(=O)O
InChIInChI=1S/C8H15NO2/c1-6-2-3-8(6,5-9)4-7(10)11/h6H,2-5,9H2,1H3,(H,10,11)/t6-,8+/m0/s1
InChIKeyONNOPRZOLPBVQA-POYBYMJQSA-N
MW157.21 g/mol
LogP0.84
Rot. Bonds3

About 2-[(1S,2S)-1-(aminomethyl)-2-methylcyclobutyl]acetic acid

2-[(1S,2S)-1-(aminomethyl)-2-methylcyclobutyl]acetic acid (PubChem CID 57289063) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-[(1S,2S)-1-(aminomethyl)-2-methylcyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,2S)-1-(aminomethyl)-2-methylcyclobutyl]acetic acid
PubChem CID57289063
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-[(1S,2S)-1-(aminomethyl)-2-methylcyclobutyl]acetic acid
SMILESC[C@H]1CC[C@]1(CN)CC(=O)O
InChIInChI=1S/C8H15NO2/c1-6-2-3-8(6,5-9)4-7(10)11/h6H,2-5,9H2,1H3,(H,10,11)/t6-,8+/m0/s1
InChIKeyONNOPRZOLPBVQA-POYBYMJQSA-N
XLogP0.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-1-(aminomethyl)-2-methylcyclobutyl]acetic acid?
The IUPAC name of 2-[(1S,2S)-1-(aminomethyl)-2-methylcyclobutyl]acetic acid (CID 57289063) is 2-[(1S,2S)-1-(aminomethyl)-2-methylcyclobutyl]acetic acid.
What is the SMILES notation for 2-[(1S,2S)-1-(aminomethyl)-2-methylcyclobutyl]acetic acid?
The canonical SMILES for 2-[(1S,2S)-1-(aminomethyl)-2-methylcyclobutyl]acetic acid is C[C@H]1CC[C@]1(CN)CC(=O)O.
What is the InChIKey of 2-[(1S,2S)-1-(aminomethyl)-2-methylcyclobutyl]acetic acid?
The InChIKey is ONNOPRZOLPBVQA-POYBYMJQSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-2-3-8(6,5-9)4-7(10)11/h6H,2-5,9H2,1H3,(H,10,11)/t6-,8+/m0/s1.
What are the key properties of 2-[(1S,2S)-1-(aminomethyl)-2-methylcyclobutyl]acetic acid?
2-[(1S,2S)-1-(aminomethyl)-2-methylcyclobutyl]acetic acid has a molecular weight of 157.21 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-1-(aminomethyl)-2-methylcyclobutyl]acetic acid is sourced from PubChem (CID 57289063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).