2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetic acid

C9H15NO2 — CID 178190998

IUPAC2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetic acid
SMILESNC1(CC(=O)O)C[C@H]2CCC[C@H]21
InChIInChI=1S/C9H15NO2/c10-9(5-8(11)12)4-6-2-1-3-7(6)9/h6-7H,1-5,10H2,(H,11,12)/t6-,7-,9?/m1/s1
InChIKeyMNAYHIXOKDYXDB-UMPGHQJDSA-N
MW169.22 g/mol
LogP0.98
Rot. Bonds2

About 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetic acid

2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetic acid (PubChem CID 178190998) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetic acid
PubChem CID178190998
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetic acid
SMILESNC1(CC(=O)O)C[C@H]2CCC[C@H]21
InChIInChI=1S/C9H15NO2/c10-9(5-8(11)12)4-6-2-1-3-7(6)9/h6-7H,1-5,10H2,(H,11,12)/t6-,7-,9?/m1/s1
InChIKeyMNAYHIXOKDYXDB-UMPGHQJDSA-N
XLogP0.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetate
CID 178191667
2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 142879958
2-[(1S,5S,6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 10330007
2-[(1S,6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 89366528
2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid
CID 130526238
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,6S)-6-(nitromethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 10255676
2-[(6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid;ethylcyclobutane
CID 145337620
2-[(1R)-1-amino-2-methylcyclopropyl]acetic acid
CID 171036084
(4-amino-1,2,3,3a,5,6,7,7a-octahydroinden-4-yl)methanol
CID 83905743

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetic acid?
The IUPAC name of 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetic acid (CID 178190998) is 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetic acid.
What is the SMILES notation for 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetic acid?
The canonical SMILES for 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetic acid is NC1(CC(=O)O)C[C@H]2CCC[C@H]21.
What is the InChIKey of 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetic acid?
The InChIKey is MNAYHIXOKDYXDB-UMPGHQJDSA-N. The full InChI is InChI=1S/C9H15NO2/c10-9(5-8(11)12)4-6-2-1-3-7(6)9/h6-7H,1-5,10H2,(H,11,12)/t6-,7-,9?/m1/s1.
What are the key properties of 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetic acid?
2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetic acid has a molecular weight of 169.22 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetic acid is sourced from PubChem (CID 178190998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).