trans-(1R,3S)-3-[(azocane-1-carbonylamino)methyl]-3-fluorocyclopentane-1-carboxylic acid

C15H25FN2O3 — CID 166287159

IUPACtrans-(1R,3S)-3-[(azocane-1-carbonylamino)methyl]-3-fluorocyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@@](F)(CNC(=O)N2CCCCCCC2)C1
InChIInChI=1S/C15H25FN2O3/c16-15(7-6-12(10-15)13(19)20)11-17-14(21)18-8-4-2-1-3-5-9-18/h12H,1-11H2,(H,17,21)(H,19,20)/t12-,15+/m1/s1
InChIKeyCXJPFFGKVCKXKN-DOMZBBRYSA-N
MW300.37 g/mol
LogP2.56
Rot. Bonds3

About trans-(1R,3S)-3-[(azocane-1-carbonylamino)methyl]-3-fluorocyclopentane-1-carboxylic acid

trans-(1R,3S)-3-[(azocane-1-carbonylamino)methyl]-3-fluorocyclopentane-1-carboxylic acid (PubChem CID 166287159) has the molecular formula C15H25FN2O3 and a molecular weight of 300.37 g/mol. Its IUPAC name is trans-(1R,3S)-3-[(azocane-1-carbonylamino)methyl]-3-fluorocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,3S)-3-[(azocane-1-carbonylamino)methyl]-3-fluorocyclopentane-1-carboxylic acid
PubChem CID166287159
Molecular FormulaC15H25FN2O3
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Nametrans-(1R,3S)-3-[(azocane-1-carbonylamino)methyl]-3-fluorocyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@@](F)(CNC(=O)N2CCCCCCC2)C1
InChIInChI=1S/C15H25FN2O3/c16-15(7-6-12(10-15)13(19)20)11-17-14(21)18-8-4-2-1-3-5-9-18/h12H,1-11H2,(H,17,21)(H,19,20)/t12-,15+/m1/s1
InChIKeyCXJPFFGKVCKXKN-DOMZBBRYSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid
CID 105455445
3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid
CID 105471452
N-[(1-methylcyclobutyl)methyl]piperidine-1-carboxamide
CID 103736206
1-[(1-propylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006393
N-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide
CID 113258029
N-[2-(cyclopropanecarbonylamino)ethyl]azocane-1-carboxamide
CID 71940931
N-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide
CID 113223981
1-[[1-(dimethylcarbamoyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122002090
N-[(piperidine-1-carbonylamino)methyl]piperidine-1-carboxamide
CID 59031008
1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122006584
1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006604
2-(azocane-1-carbonylamino)acetic acid
CID 43445649

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-3-[(azocane-1-carbonylamino)methyl]-3-fluorocyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,3S)-3-[(azocane-1-carbonylamino)methyl]-3-fluorocyclopentane-1-carboxylic acid (CID 166287159) is trans-(1R,3S)-3-[(azocane-1-carbonylamino)methyl]-3-fluorocyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,3S)-3-[(azocane-1-carbonylamino)methyl]-3-fluorocyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,3S)-3-[(azocane-1-carbonylamino)methyl]-3-fluorocyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@@](F)(CNC(=O)N2CCCCCCC2)C1.
What is the InChIKey of trans-(1R,3S)-3-[(azocane-1-carbonylamino)methyl]-3-fluorocyclopentane-1-carboxylic acid?
The InChIKey is CXJPFFGKVCKXKN-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H25FN2O3/c16-15(7-6-12(10-15)13(19)20)11-17-14(21)18-8-4-2-1-3-5-9-18/h12H,1-11H2,(H,17,21)(H,19,20)/t12-,15+/m1/s1.
What are the key properties of trans-(1R,3S)-3-[(azocane-1-carbonylamino)methyl]-3-fluorocyclopentane-1-carboxylic acid?
trans-(1R,3S)-3-[(azocane-1-carbonylamino)methyl]-3-fluorocyclopentane-1-carboxylic acid has a molecular weight of 300.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-3-[(azocane-1-carbonylamino)methyl]-3-fluorocyclopentane-1-carboxylic acid is sourced from PubChem (CID 166287159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).