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

C6H13ClN2O3 — CID 88920207

IUPAC2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride
SMILESCC(NC(=O)[C@H](C)N)C(=O)O.Cl
InChIInChI=1S/C6H12N2O3.ClH/c1-3(7)5(9)8-4(2)6(10)11;/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11);1H/t3-,4?;/m0./s1
InChIKeyYKZTXOMGFUVZSN-ZRCOPKFRSA-N
MW196.63 g/mol
LogP-0.66
Rot. Bonds3

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

2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride (PubChem CID 88920207) has the molecular formula C6H13ClN2O3 and a molecular weight of 196.63 g/mol. Its IUPAC name is 2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride
PubChem CID88920207
Molecular FormulaC6H13ClN2O3
Molecular Weight196.63 g/mol
Exact Mass196.06
IUPAC Name2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride
SMILESCC(NC(=O)[C@H](C)N)C(=O)O.Cl
InChIInChI=1S/C6H12N2O3.ClH/c1-3(7)5(9)8-4(2)6(10)11;/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11);1H/t3-,4?;/m0./s1
InChIKeyYKZTXOMGFUVZSN-ZRCOPKFRSA-N
XLogP-0.66
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(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-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 5478841
(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
(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydron;pentahydrate
CID 131855428
(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-(15N)azanyl(1,2,3-13C3)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 132503633
2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid
CID 4079599
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoic acid;hydrate
CID 91872910
2-aminoacetic acid;(2R)-2-(2-aminopropanoylamino)propanoic acid
CID 88604532
(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-hydroxypropanoyl]amino]propanoylamino]propanoic acid
CID 18238530
2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]propanoic acid
CID 18239309

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride?
The IUPAC name of 2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride (CID 88920207) is 2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride is CC(NC(=O)[C@H](C)N)C(=O)O.Cl.
What is the InChIKey of 2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride?
The InChIKey is YKZTXOMGFUVZSN-ZRCOPKFRSA-N. The full InChI is InChI=1S/C6H12N2O3.ClH/c1-3(7)5(9)8-4(2)6(10)11;/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11);1H/t3-,4?;/m0./s1.
What are the key properties of 2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride?
2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride has a molecular weight of 196.63 g/mol, XLogP of -0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride is sourced from PubChem (CID 88920207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).