(5R)-1-amino-3-(aminomethyl)-5-(2-boronoethyl)cyclohexane-1-carboxylic acid

C10H21BN2O4 — CID 145395412

IUPAC(5R)-1-amino-3-(aminomethyl)-5-(2-boronoethyl)cyclohexane-1-carboxylic acid
SMILESNCC1C[C@@H](CCB(O)O)CC(N)(C(=O)O)C1
InChIInChI=1S/C10H21BN2O4/c12-6-8-3-7(1-2-11(16)17)4-10(13,5-8)9(14)15/h7-8,16-17H,1-6,12-13H2,(H,14,15)/t7-,8?,10?/m1/s1
InChIKeyQDSCKFSNXPAKFN-ZNFPMYQNSA-N
MW244.10 g/mol
LogP-0.99
Rot. Bonds5

About (5R)-1-amino-3-(aminomethyl)-5-(2-boronoethyl)cyclohexane-1-carboxylic acid

(5R)-1-amino-3-(aminomethyl)-5-(2-boronoethyl)cyclohexane-1-carboxylic acid (PubChem CID 145395412) has the molecular formula C10H21BN2O4 and a molecular weight of 244.10 g/mol. Its IUPAC name is (5R)-1-amino-3-(aminomethyl)-5-(2-boronoethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name(5R)-1-amino-3-(aminomethyl)-5-(2-boronoethyl)cyclohexane-1-carboxylic acid
PubChem CID145395412
Molecular FormulaC10H21BN2O4
Molecular Weight244.10 g/mol
Exact Mass244.16
IUPAC Name(5R)-1-amino-3-(aminomethyl)-5-(2-boronoethyl)cyclohexane-1-carboxylic acid
SMILESNCC1C[C@@H](CCB(O)O)CC(N)(C(=O)O)C1
InChIInChI=1S/C10H21BN2O4/c12-6-8-3-7(1-2-11(16)17)4-10(13,5-8)9(14)15/h7-8,16-17H,1-6,12-13H2,(H,14,15)/t7-,8?,10?/m1/s1
InChIKeyQDSCKFSNXPAKFN-ZNFPMYQNSA-N
XLogP-0.99
TPSA129.80 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.10
LogP ≤ 5-0.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-1-amino-3-(aminomethyl)-5-(2-boronoethyl)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-(2-boronoethyl)-1-methylpiperidine-3-carboxylic acid;dihydrochloride
CID 162327453
(3R,5S)-3-amino-1-[(2S)-2-amino-3-hydroxypropanoyl]-5-(2-boronoethyl)piperidine-3-carboxylic acid
CID 148568500
(3R,5S)-3-amino-1-[(2R)-2-amino-3-sulfanylpropanoyl]-5-(2-boronoethyl)piperidine-3-carboxylic acid;dihydrochloride
CID 153436763
1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride
CID 105439814
1,2-diamino-5-(2-boronoethyl)cyclohexane-1-carboxylic acid;ethane
CID 145395382
1-amino-4-(4-boronobutyl)cyclohexane-1-carboxylic acid
CID 102476217
(3R,5S)-3-amino-5-(2-boronoethyl)-1-[(2S)-2,4-diamino-4-oxobutanoyl]piperidine-3-carboxylic acid;dihydrochloride
CID 153436736
(1R,2S,5R)-1-amino-5-(2-boronoethyl)-2-ethylcyclohexane-1-carboxylic acid
CID 165036434
(1R,2S,5R)-1-amino-5-(2-boronoethyl)-2-(cyclopentylmethyl)cyclohexane-1-carboxylic acid
CID 153290455
(3R,5S)-3-amino-1-[(2S)-2-amino-4-carboxybutanoyl]-5-(2-boronoethyl)piperidine-3-carboxylic acid;(3R,5S)-3-amino-1-[(2S)-2-amino-3-carboxypropanoyl]-5-(2-boronoethyl)piperidine-3-carboxylic acid
CID 161098779
cis-(1R,5R)-1-amino-5-(2-boronoethyl)-2-(pyrrolidin-1-ylmethyl)cyclohexane-1-carboxylic acid
CID 152876993
4-aminocyclopentane-1,2,4-tricarboxylic acid
CID 4302961

Frequently Asked Questions

What is the IUPAC name of (5R)-1-amino-3-(aminomethyl)-5-(2-boronoethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of (5R)-1-amino-3-(aminomethyl)-5-(2-boronoethyl)cyclohexane-1-carboxylic acid (CID 145395412) is (5R)-1-amino-3-(aminomethyl)-5-(2-boronoethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for (5R)-1-amino-3-(aminomethyl)-5-(2-boronoethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for (5R)-1-amino-3-(aminomethyl)-5-(2-boronoethyl)cyclohexane-1-carboxylic acid is NCC1C[C@@H](CCB(O)O)CC(N)(C(=O)O)C1.
What is the InChIKey of (5R)-1-amino-3-(aminomethyl)-5-(2-boronoethyl)cyclohexane-1-carboxylic acid?
The InChIKey is QDSCKFSNXPAKFN-ZNFPMYQNSA-N. The full InChI is InChI=1S/C10H21BN2O4/c12-6-8-3-7(1-2-11(16)17)4-10(13,5-8)9(14)15/h7-8,16-17H,1-6,12-13H2,(H,14,15)/t7-,8?,10?/m1/s1.
What are the key properties of (5R)-1-amino-3-(aminomethyl)-5-(2-boronoethyl)cyclohexane-1-carboxylic acid?
(5R)-1-amino-3-(aminomethyl)-5-(2-boronoethyl)cyclohexane-1-carboxylic acid has a molecular weight of 244.10 g/mol, XLogP of -0.99, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-amino-3-(aminomethyl)-5-(2-boronoethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 145395412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).