(2R)-2-amino-N-(3-oxobutan-2-yl)propanamide;hydrobromide

C7H15BrN2O2 — CID 90678145

IUPAC(2R)-2-amino-N-(3-oxobutan-2-yl)propanamide;hydrobromide
SMILESBr.CC(=O)C(C)NC(=O)[C@@H](C)N
InChIInChI=1S/C7H14N2O2.BrH/c1-4(8)7(11)9-5(2)6(3)10;/h4-5H,8H2,1-3H3,(H,9,11);1H/t4-,5?;/m1./s1
InChIKeyQXJMMFKSANTFIP-FVYOBFAJSA-N
MW239.11 g/mol
LogP0.01
Rot. Bonds3

About (2R)-2-amino-N-(3-oxobutan-2-yl)propanamide;hydrobromide

(2R)-2-amino-N-(3-oxobutan-2-yl)propanamide;hydrobromide (PubChem CID 90678145) has the molecular formula C7H15BrN2O2 and a molecular weight of 239.11 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-oxobutan-2-yl)propanamide;hydrobromide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-oxobutan-2-yl)propanamide;hydrobromide
PubChem CID90678145
Molecular FormulaC7H15BrN2O2
Molecular Weight239.11 g/mol
Exact Mass238.03
IUPAC Name(2R)-2-amino-N-(3-oxobutan-2-yl)propanamide;hydrobromide
SMILESBr.CC(=O)C(C)NC(=O)[C@@H](C)N
InChIInChI=1S/C7H14N2O2.BrH/c1-4(8)7(11)9-5(2)6(3)10;/h4-5H,8H2,1-3H3,(H,9,11);1H/t4-,5?;/m1./s1
InChIKeyQXJMMFKSANTFIP-FVYOBFAJSA-N
XLogP0.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-oxobutan-2-yl)propanamide;hydrobromide?
The IUPAC name of (2R)-2-amino-N-(3-oxobutan-2-yl)propanamide;hydrobromide (CID 90678145) is (2R)-2-amino-N-(3-oxobutan-2-yl)propanamide;hydrobromide.
What is the SMILES notation for (2R)-2-amino-N-(3-oxobutan-2-yl)propanamide;hydrobromide?
The canonical SMILES for (2R)-2-amino-N-(3-oxobutan-2-yl)propanamide;hydrobromide is Br.CC(=O)C(C)NC(=O)[C@@H](C)N.
What is the InChIKey of (2R)-2-amino-N-(3-oxobutan-2-yl)propanamide;hydrobromide?
The InChIKey is QXJMMFKSANTFIP-FVYOBFAJSA-N. The full InChI is InChI=1S/C7H14N2O2.BrH/c1-4(8)7(11)9-5(2)6(3)10;/h4-5H,8H2,1-3H3,(H,9,11);1H/t4-,5?;/m1./s1.
What are the key properties of (2R)-2-amino-N-(3-oxobutan-2-yl)propanamide;hydrobromide?
(2R)-2-amino-N-(3-oxobutan-2-yl)propanamide;hydrobromide has a molecular weight of 239.11 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-oxobutan-2-yl)propanamide;hydrobromide is sourced from PubChem (CID 90678145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).