trans-(1R,3S)-3-amino-1-(4-boronobutyl)cyclopentane-1-carboxylic acid

C10H20BNO4 — CID 158364506

IUPACtrans-(1R,3S)-3-amino-1-(4-boronobutyl)cyclopentane-1-carboxylic acid
SMILESN[C@H]1CC[C@@](CCCCB(O)O)(C(=O)O)C1
InChIInChI=1S/C10H20BNO4/c12-8-3-5-10(7-8,9(13)14)4-1-2-6-11(15)16/h8,15-16H,1-7,12H2,(H,13,14)/t8-,10+/m0/s1
InChIKeyGTWAWLFDAUCEQI-WCBMZHEXSA-N
MW229.08 g/mol
LogP0.21
Rot. Bonds6

About trans-(1R,3S)-3-amino-1-(4-boronobutyl)cyclopentane-1-carboxylic acid

trans-(1R,3S)-3-amino-1-(4-boronobutyl)cyclopentane-1-carboxylic acid (PubChem CID 158364506) has the molecular formula C10H20BNO4 and a molecular weight of 229.08 g/mol. Its IUPAC name is trans-(1R,3S)-3-amino-1-(4-boronobutyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,3S)-3-amino-1-(4-boronobutyl)cyclopentane-1-carboxylic acid
PubChem CID158364506
Molecular FormulaC10H20BNO4
Molecular Weight229.08 g/mol
Exact Mass229.15
IUPAC Nametrans-(1R,3S)-3-amino-1-(4-boronobutyl)cyclopentane-1-carboxylic acid
SMILESN[C@H]1CC[C@@](CCCCB(O)O)(C(=O)O)C1
InChIInChI=1S/C10H20BNO4/c12-8-3-5-10(7-8,9(13)14)4-1-2-6-11(15)16/h8,15-16H,1-7,12H2,(H,13,14)/t8-,10+/m0/s1
InChIKeyGTWAWLFDAUCEQI-WCBMZHEXSA-N
XLogP0.21
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,3S)-3-[(2-aminoacetyl)amino]-1-(4-boronobutyl)cyclohexane-1-carboxylic acid
CID 164949494
trans-(1R,3S)-3-amino-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]cyclopentane-1-carboxylic acid
CID 158634542
(2S,4R)-4-amino-2-(4-boronobutyl)pyrrolidine-2-carboxylic acid
CID 151845990
(2R,4R)-4-amino-2-(4-boronobutyl)pyrrolidine-2-carboxylic acid
CID 151845994
trans-(1R,3S)-3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-1-(4-boronobutyl)cyclohexane-1-carboxylic acid
CID 164994753
1-amino-4-(4-boronobutyl)cyclohexane-1-carboxylic acid
CID 102476217
(4S)-2-(4-boronobutyl)-4-methylpiperidine-2-carboxylic acid
CID 165064850
2-(4-boronobutyl)pyrrolidine-2-carboxylic acid
CID 66832567
3-[5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentyl]-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 23148596
(3R)-3-aminocyclopentane-1,1-dicarboxylic acid
CID 54063246
trans-(1R,3S)-1-[4-[hydroxy(methyl)boranyl]butyl]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 167649309
4-butyl-1-octylcyclohexane-1-carboxylic acid
CID 63403164

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-3-amino-1-(4-boronobutyl)cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,3S)-3-amino-1-(4-boronobutyl)cyclopentane-1-carboxylic acid (CID 158364506) is trans-(1R,3S)-3-amino-1-(4-boronobutyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,3S)-3-amino-1-(4-boronobutyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,3S)-3-amino-1-(4-boronobutyl)cyclopentane-1-carboxylic acid is N[C@H]1CC[C@@](CCCCB(O)O)(C(=O)O)C1.
What is the InChIKey of trans-(1R,3S)-3-amino-1-(4-boronobutyl)cyclopentane-1-carboxylic acid?
The InChIKey is GTWAWLFDAUCEQI-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H20BNO4/c12-8-3-5-10(7-8,9(13)14)4-1-2-6-11(15)16/h8,15-16H,1-7,12H2,(H,13,14)/t8-,10+/m0/s1.
What are the key properties of trans-(1R,3S)-3-amino-1-(4-boronobutyl)cyclopentane-1-carboxylic acid?
trans-(1R,3S)-3-amino-1-(4-boronobutyl)cyclopentane-1-carboxylic acid has a molecular weight of 229.08 g/mol, XLogP of 0.21, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-3-amino-1-(4-boronobutyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 158364506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).