(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydron;pentahydrate

C6H23N2O8+ — CID 131855428

IUPAC(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydron;pentahydrate
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)O.O.O.O.O.O.[H+]
InChIInChI=1S/C6H12N2O3.5H2O/c1-3(7)5(9)8-4(2)6(10)11;;;;;/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11);5*1H2/p+1/t3-,4-;;;;;/m0...../s1
InChIKeyIOIFCSPSPIMDAB-GPBBXSMISA-O
MW251.26 g/mol
LogP-5.09
Rot. Bonds3

About (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydron;pentahydrate

(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydron;pentahydrate (PubChem CID 131855428) has the molecular formula C6H23N2O8+ and a molecular weight of 251.26 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydron;pentahydrate.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydron;pentahydrate
PubChem CID131855428
Molecular FormulaC6H23N2O8+
Molecular Weight251.26 g/mol
Exact Mass251.14
IUPAC Name(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydron;pentahydrate
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)O.O.O.O.O.O.[H+]
InChIInChI=1S/C6H12N2O3.5H2O/c1-3(7)5(9)8-4(2)6(10)11;;;;;/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11);5*1H2/p+1/t3-,4-;;;;;/m0...../s1
InChIKeyIOIFCSPSPIMDAB-GPBBXSMISA-O
XLogP-5.09
TPSA249.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 5-5.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoic acid;hydrate
CID 91872910
2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride
CID 88920207
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(15N)azanyl(1,2,3-13C3)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 132503633
(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 92840389
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 16758239
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 101209600
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 5478841
2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid
CID 4079599
2-aminoacetic acid;(2R)-2-(2-aminopropanoylamino)propanoic acid
CID 88604532
2-[2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]propanoylamino]propanoic acid
CID 18238530
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 71350639
2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]propanoic acid
CID 18239309

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydron;pentahydrate?
The IUPAC name of (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydron;pentahydrate (CID 131855428) is (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydron;pentahydrate.
What is the SMILES notation for (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydron;pentahydrate?
The canonical SMILES for (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydron;pentahydrate is C[C@H](N)C(=O)N[C@@H](C)C(=O)O.O.O.O.O.O.[H+].
What is the InChIKey of (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydron;pentahydrate?
The InChIKey is IOIFCSPSPIMDAB-GPBBXSMISA-O. The full InChI is InChI=1S/C6H12N2O3.5H2O/c1-3(7)5(9)8-4(2)6(10)11;;;;;/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11);5*1H2/p+1/t3-,4-;;;;;/m0...../s1.
What are the key properties of (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydron;pentahydrate?
(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydron;pentahydrate has a molecular weight of 251.26 g/mol, XLogP of -5.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydron;pentahydrate is sourced from PubChem (CID 131855428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).