2-[(2R)-azepan-2-yl]acetic acid

C8H15NO2 — CID 96634576

IUPAC2-[(2R)-azepan-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCCCN1
InChIInChI=1S/C8H15NO2/c10-8(11)6-7-4-2-1-3-5-9-7/h7,9H,1-6H2,(H,10,11)/t7-/m1/s1
InChIKeyQZEBYGMFUIXUEF-SSDOTTSWSA-N
MW157.21 g/mol
LogP0.99
Rot. Bonds2

About 2-[(2R)-azepan-2-yl]acetic acid

2-[(2R)-azepan-2-yl]acetic acid (PubChem CID 96634576) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-[(2R)-azepan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-azepan-2-yl]acetic acid
PubChem CID96634576
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-[(2R)-azepan-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCCCN1
InChIInChI=1S/C8H15NO2/c10-8(11)6-7-4-2-1-3-5-9-7/h7,9H,1-6H2,(H,10,11)/t7-/m1/s1
InChIKeyQZEBYGMFUIXUEF-SSDOTTSWSA-N
XLogP0.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-azepan-2-yl]propan-2-one
CID 97048950
3-(azepan-2-yl)propanoic acid
CID 69475849
1-(azocan-2-yl)-3-methylbutan-2-one
CID 130491231
methyl 2-(azocan-2-yl)acetate
CID 86040521
N-cycloheptyl-2-piperidin-2-ylacetamide
CID 43346201
1-piperidin-2-ylbut-3-yn-2-one
CID 165465435
1-amino-3-[(2R)-pyrrolidin-2-yl]propan-2-one
CID 54308072
1-cyclopentyl-2-pyrrolidin-2-ylethanone
CID 79538692
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
ethane;methyl 2-piperidin-2-ylacetate
CID 168986004
[(2S)-azepan-2-yl]methanol
CID 870731
1-pyrrolidin-2-ylpropan-2-one
CID 45085262

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-azepan-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-azepan-2-yl]acetic acid (CID 96634576) is 2-[(2R)-azepan-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-azepan-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-azepan-2-yl]acetic acid is O=C(O)C[C@H]1CCCCCN1.
What is the InChIKey of 2-[(2R)-azepan-2-yl]acetic acid?
The InChIKey is QZEBYGMFUIXUEF-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO2/c10-8(11)6-7-4-2-1-3-5-9-7/h7,9H,1-6H2,(H,10,11)/t7-/m1/s1.
What are the key properties of 2-[(2R)-azepan-2-yl]acetic acid?
2-[(2R)-azepan-2-yl]acetic acid has a molecular weight of 157.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-azepan-2-yl]acetic acid is sourced from PubChem (CID 96634576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).