1-aminopropan-2-yl (2S)-2-aminopropanoate;hydrobromide

C6H15BrN2O2 — CID 88792060

IUPAC1-aminopropan-2-yl (2S)-2-aminopropanoate;hydrobromide
SMILESBr.CC(CN)OC(=O)[C@H](C)N
InChIInChI=1S/C6H14N2O2.BrH/c1-4(3-7)10-6(9)5(2)8;/h4-5H,3,7-8H2,1-2H3;1H/t4?,5-;/m0./s1
InChIKeyCDXRYVGHYZZGLH-YKXIHYLHSA-N
MW227.10 g/mol
LogP-0.20
Rot. Bonds3

About 1-aminopropan-2-yl (2S)-2-aminopropanoate;hydrobromide

1-aminopropan-2-yl (2S)-2-aminopropanoate;hydrobromide (PubChem CID 88792060) has the molecular formula C6H15BrN2O2 and a molecular weight of 227.10 g/mol. Its IUPAC name is 1-aminopropan-2-yl (2S)-2-aminopropanoate;hydrobromide.

Molecular Properties

Compound Name1-aminopropan-2-yl (2S)-2-aminopropanoate;hydrobromide
PubChem CID88792060
Molecular FormulaC6H15BrN2O2
Molecular Weight227.10 g/mol
Exact Mass226.03
IUPAC Name1-aminopropan-2-yl (2S)-2-aminopropanoate;hydrobromide
SMILESBr.CC(CN)OC(=O)[C@H](C)N
InChIInChI=1S/C6H14N2O2.BrH/c1-4(3-7)10-6(9)5(2)8;/h4-5H,3,7-8H2,1-2H3;1H/t4?,5-;/m0./s1
InChIKeyCDXRYVGHYZZGLH-YKXIHYLHSA-N
XLogP-0.20
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-aminopropan-2-yl] 2-methylpropanoate
CID 87536097
butan-2-yl (2R)-2-aminopropanoate
CID 45086644
[(2R)-pentan-2-yl] (2S)-2-aminopropanoate
CID 118034271
1-aminopropan-2-yl (2S)-2,5-diamino-5-oxopentanoate
CID 88686252
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
propan-2-yl 2-aminopropanoate
CID 11804791
1-[dimethyl(sulfanyl)-λ4-sulfanyl]propan-2-yl 2-aminopropanoate
CID 166658163
aminomethyl (2S)-2-aminopropanoate
CID 139681738
1-trimethylsilylethyl (2R)-2-aminopropanoate
CID 87632217
1-aminopropan-2-yl 2,4-dihydroxy-4-methylpentanoate
CID 123339844
hydron;propan-2-yl (2S)-2-aminopropanoate;chloride
CID 173116569
[(2S)-1-cyclopentyloxypropan-2-yl] (2S)-2-aminopropanoate
CID 121466308

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-yl (2S)-2-aminopropanoate;hydrobromide?
The IUPAC name of 1-aminopropan-2-yl (2S)-2-aminopropanoate;hydrobromide (CID 88792060) is 1-aminopropan-2-yl (2S)-2-aminopropanoate;hydrobromide.
What is the SMILES notation for 1-aminopropan-2-yl (2S)-2-aminopropanoate;hydrobromide?
The canonical SMILES for 1-aminopropan-2-yl (2S)-2-aminopropanoate;hydrobromide is Br.CC(CN)OC(=O)[C@H](C)N.
What is the InChIKey of 1-aminopropan-2-yl (2S)-2-aminopropanoate;hydrobromide?
The InChIKey is CDXRYVGHYZZGLH-YKXIHYLHSA-N. The full InChI is InChI=1S/C6H14N2O2.BrH/c1-4(3-7)10-6(9)5(2)8;/h4-5H,3,7-8H2,1-2H3;1H/t4?,5-;/m0./s1.
What are the key properties of 1-aminopropan-2-yl (2S)-2-aminopropanoate;hydrobromide?
1-aminopropan-2-yl (2S)-2-aminopropanoate;hydrobromide has a molecular weight of 227.10 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-yl (2S)-2-aminopropanoate;hydrobromide is sourced from PubChem (CID 88792060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).