(4S)-4-amino-5-[boronomethyl(methyl)amino]-5-oxopentanoic acid

C7H15BN2O5 — CID 74765689

IUPAC(4S)-4-amino-5-[boronomethyl(methyl)amino]-5-oxopentanoic acid
SMILESCN(CB(O)O)C(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C7H15BN2O5/c1-10(4-8(14)15)7(13)5(9)2-3-6(11)12/h5,14-15H,2-4,9H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyFNHCVVVEFVZKKN-YFKPBYRVSA-N
MW218.02 g/mol
LogP-2.35
Rot. Bonds6

About (4S)-4-amino-5-[boronomethyl(methyl)amino]-5-oxopentanoic acid

(4S)-4-amino-5-[boronomethyl(methyl)amino]-5-oxopentanoic acid (PubChem CID 74765689) has the molecular formula C7H15BN2O5 and a molecular weight of 218.02 g/mol. Its IUPAC name is (4S)-4-amino-5-[boronomethyl(methyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-[boronomethyl(methyl)amino]-5-oxopentanoic acid
PubChem CID74765689
Molecular FormulaC7H15BN2O5
Molecular Weight218.02 g/mol
Exact Mass218.11
IUPAC Name(4S)-4-amino-5-[boronomethyl(methyl)amino]-5-oxopentanoic acid
SMILESCN(CB(O)O)C(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C7H15BN2O5/c1-10(4-8(14)15)7(13)5(9)2-3-6(11)12/h5,14-15H,2-4,9H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyFNHCVVVEFVZKKN-YFKPBYRVSA-N
XLogP-2.35
TPSA124.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.02
LogP ≤ 5-2.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4S)-4-amino-5-[boronomethyl(methyl)amino]-5-oxopentanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-[boronomethyl(methyl)amino]-5-oxopentanoic acid?
The IUPAC name of (4S)-4-amino-5-[boronomethyl(methyl)amino]-5-oxopentanoic acid (CID 74765689) is (4S)-4-amino-5-[boronomethyl(methyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-[boronomethyl(methyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (4S)-4-amino-5-[boronomethyl(methyl)amino]-5-oxopentanoic acid is CN(CB(O)O)C(=O)[C@@H](N)CCC(=O)O.
What is the InChIKey of (4S)-4-amino-5-[boronomethyl(methyl)amino]-5-oxopentanoic acid?
The InChIKey is FNHCVVVEFVZKKN-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H15BN2O5/c1-10(4-8(14)15)7(13)5(9)2-3-6(11)12/h5,14-15H,2-4,9H2,1H3,(H,11,12)/t5-/m0/s1.
What are the key properties of (4S)-4-amino-5-[boronomethyl(methyl)amino]-5-oxopentanoic acid?
(4S)-4-amino-5-[boronomethyl(methyl)amino]-5-oxopentanoic acid has a molecular weight of 218.02 g/mol, XLogP of -2.35, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-[boronomethyl(methyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 74765689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).