[(1R)-1-[[(2S)-2-aminopropanoyl]amino]-3-methylbutyl]boronic acid

C8H19BN2O3 — CID 53362661

IUPAC[(1R)-1-[[(2S)-2-aminopropanoyl]amino]-3-methylbutyl]boronic acid
SMILESCC(C)C[C@H](NC(=O)[C@H](C)N)B(O)O
InChIInChI=1S/C8H19BN2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7,13-14H,4,10H2,1-3H3,(H,11,12)/t6-,7-/m0/s1
InChIKeyQRJZMLOZMSJVJG-BQBZGAKWSA-N
MW202.06 g/mol
LogP-1.12
Rot. Bonds5

About [(1R)-1-[[(2S)-2-aminopropanoyl]amino]-3-methylbutyl]boronic acid

[(1R)-1-[[(2S)-2-aminopropanoyl]amino]-3-methylbutyl]boronic acid (PubChem CID 53362661) has the molecular formula C8H19BN2O3 and a molecular weight of 202.06 g/mol. Its IUPAC name is [(1R)-1-[[(2S)-2-aminopropanoyl]amino]-3-methylbutyl]boronic acid.

Molecular Properties

Compound Name[(1R)-1-[[(2S)-2-aminopropanoyl]amino]-3-methylbutyl]boronic acid
PubChem CID53362661
Molecular FormulaC8H19BN2O3
Molecular Weight202.06 g/mol
Exact Mass202.15
IUPAC Name[(1R)-1-[[(2S)-2-aminopropanoyl]amino]-3-methylbutyl]boronic acid
SMILESCC(C)C[C@H](NC(=O)[C@H](C)N)B(O)O
InChIInChI=1S/C8H19BN2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7,13-14H,4,10H2,1-3H3,(H,11,12)/t6-,7-/m0/s1
InChIKeyQRJZMLOZMSJVJG-BQBZGAKWSA-N
XLogP-1.12
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.06
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Talabostat
CID 6918572
D-Val-L-boroPro
CID 9942554
(S)-2-(S)-Amino-1-(2-boron-dihydroxide-pyrrolidine)-3-methyl-butan-1-one
CID 10798659
Val-boroAla
CID 25132160
(R)-1-((S)-2,4-diaminobutanamido)pentylboronic acid
CID 11608317
(S)-2,4-Diamino-N-((R)-1-boron-dihydroxide-pentyl)-butyramide
CID 44403353
(1-((S)-2-Amino-3-methylbutanoyl)pyrrolidin-2-yl)boronic acid
CID 10130575
B-((1R)-1-((2-Aminoacetyl)amino)-3-methylbutyl)boronic acid
CID 53362658
[(1R)-1-[[(2S)-2-aminobutanoyl]amino]-3-methylbutyl]boronic acid
CID 53362790
Sar-boroLeu
CID 53363010
Ala-boroAla
CID 74765703
2-amino-N-[(1R,2S)-1-difluoroboranyl-2-methylbutyl]propanamide
CID 44300567

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[[(2S)-2-aminopropanoyl]amino]-3-methylbutyl]boronic acid?
The IUPAC name of [(1R)-1-[[(2S)-2-aminopropanoyl]amino]-3-methylbutyl]boronic acid (CID 53362661) is [(1R)-1-[[(2S)-2-aminopropanoyl]amino]-3-methylbutyl]boronic acid.
What is the SMILES notation for [(1R)-1-[[(2S)-2-aminopropanoyl]amino]-3-methylbutyl]boronic acid?
The canonical SMILES for [(1R)-1-[[(2S)-2-aminopropanoyl]amino]-3-methylbutyl]boronic acid is CC(C)C[C@H](NC(=O)[C@H](C)N)B(O)O.
What is the InChIKey of [(1R)-1-[[(2S)-2-aminopropanoyl]amino]-3-methylbutyl]boronic acid?
The InChIKey is QRJZMLOZMSJVJG-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H19BN2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7,13-14H,4,10H2,1-3H3,(H,11,12)/t6-,7-/m0/s1.
What are the key properties of [(1R)-1-[[(2S)-2-aminopropanoyl]amino]-3-methylbutyl]boronic acid?
[(1R)-1-[[(2S)-2-aminopropanoyl]amino]-3-methylbutyl]boronic acid has a molecular weight of 202.06 g/mol, XLogP of -1.12, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[[(2S)-2-aminopropanoyl]amino]-3-methylbutyl]boronic acid is sourced from PubChem (CID 53362661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).