2-[(1S,3S,5S,6R)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid

C15H25NO2 — CID 129283647

IUPAC2-[(1S,3S,5S,6R)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
SMILESNC[C@@]1(CC(=O)O)C[C@@H]2C[C@H](CC3CCC3)C[C@@H]21
InChIInChI=1S/C15H25NO2/c16-9-15(8-14(17)18)7-12-5-11(6-13(12)15)4-10-2-1-3-10/h10-13H,1-9,16H2,(H,17,18)/t11-,12-,13-,15-/m0/s1
InChIKeyDQQKYEMNXDLQPT-ABHRYQDASA-N
MW251.37 g/mol
LogP2.64
Rot. Bonds5

About 2-[(1S,3S,5S,6R)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid

2-[(1S,3S,5S,6R)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid (PubChem CID 129283647) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[(1S,3S,5S,6R)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,3S,5S,6R)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
PubChem CID129283647
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[(1S,3S,5S,6R)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
SMILESNC[C@@]1(CC(=O)O)C[C@@H]2C[C@H](CC3CCC3)C[C@@H]21
InChIInChI=1S/C15H25NO2/c16-9-15(8-14(17)18)7-12-5-11(6-13(12)15)4-10-2-1-3-10/h10-13H,1-9,16H2,(H,17,18)/t11-,12-,13-,15-/m0/s1
InChIKeyDQQKYEMNXDLQPT-ABHRYQDASA-N
XLogP2.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(1S,3S,5S,6R)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid with MolForge

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Related Compounds

2-[(1R,3R,5R,6S)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 129283555
2-[(1S,5S,6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 10330007
2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 142879958
2-[(1S,6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 89366528
2-[(1S,3S,5R,6S)-6-(aminomethyl)-3-fluoro-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 129304310
2-[(6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid;ethylcyclobutane
CID 145337620
2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid
CID 142181198
2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid
CID 10242263
2-[(1S,7S,8R)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid
CID 10036063
2-[(1R,5R,6R)-6-(aminomethyl)-3-cyclobutyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid
CID 67199056
2-[(1R,5R,6R)-6-(aminomethyl)-3-cyclopentyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid
CID 67199496
3-(cyclobutylmethyl)cyclobutane-1,1-dicarboxylic acid
CID 23344510

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3S,5S,6R)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid?
The IUPAC name of 2-[(1S,3S,5S,6R)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid (CID 129283647) is 2-[(1S,3S,5S,6R)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid.
What is the SMILES notation for 2-[(1S,3S,5S,6R)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid?
The canonical SMILES for 2-[(1S,3S,5S,6R)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid is NC[C@@]1(CC(=O)O)C[C@@H]2C[C@H](CC3CCC3)C[C@@H]21.
What is the InChIKey of 2-[(1S,3S,5S,6R)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid?
The InChIKey is DQQKYEMNXDLQPT-ABHRYQDASA-N. The full InChI is InChI=1S/C15H25NO2/c16-9-15(8-14(17)18)7-12-5-11(6-13(12)15)4-10-2-1-3-10/h10-13H,1-9,16H2,(H,17,18)/t11-,12-,13-,15-/m0/s1.
What are the key properties of 2-[(1S,3S,5S,6R)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid?
2-[(1S,3S,5S,6R)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid has a molecular weight of 251.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3S,5S,6R)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid is sourced from PubChem (CID 129283647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).