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

C8H15ClN2O5 — CID 88754532

IUPAC(2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride
SMILESC[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O.Cl
InChIInChI=1S/C8H14N2O5.ClH/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12;/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15);1H/t4-,5+;/m0./s1
InChIKeyBHKILIWPLSUSAT-UYXJWNHNSA-N
MW254.67 g/mol
LogP-0.81
Rot. Bonds6

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

(2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride (PubChem CID 88754532) has the molecular formula C8H15ClN2O5 and a molecular weight of 254.67 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride
PubChem CID88754532
Molecular FormulaC8H15ClN2O5
Molecular Weight254.67 g/mol
Exact Mass254.07
IUPAC Name(2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride
SMILESC[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O.Cl
InChIInChI=1S/C8H14N2O5.ClH/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12;/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15);1H/t4-,5+;/m0./s1
InChIKeyBHKILIWPLSUSAT-UYXJWNHNSA-N
XLogP-0.81
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoyl]amino]pentanedioic acid
CID 145453522
2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 18235072
5-amino-2-[[2-(2-aminopropanoylamino)-4-carboxybutanoyl]amino]-5-oxopentanoic acid
CID 18218348
2-[[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]pentanedioic acid
CID 18233439
2-[[2-[[2-(2-aminopropanoylamino)-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid
CID 18233979
(4S)-4-[[(2S)-2-aminopropanoyl]amino]-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid
CID 145453573
6-amino-2-[[2-[[6-amino-2-(2-aminopropanoylamino)hexanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid
CID 18237051
4-(2-aminopropanoylamino)-5-(1-carboxyethylamino)-5-oxopentanoic acid
CID 18218343
5-amino-2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid
CID 18235033
(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid;ethane
CID 178159244
2-[[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid
CID 18233679
5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid
CID 18232688

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride?
The IUPAC name of (2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride (CID 88754532) is (2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride.
What is the SMILES notation for (2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride?
The canonical SMILES for (2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride is C[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O.Cl.
What is the InChIKey of (2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride?
The InChIKey is BHKILIWPLSUSAT-UYXJWNHNSA-N. The full InChI is InChI=1S/C8H14N2O5.ClH/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12;/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15);1H/t4-,5+;/m0./s1.
What are the key properties of (2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride?
(2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride has a molecular weight of 254.67 g/mol, XLogP of -0.81, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride is sourced from PubChem (CID 88754532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).