2-amino-5-[(1-carboxy-2-prop-2-enylsulfanylethyl)amino]-5-oxopentanoic acid

C11H18N2O5S — CID 11193907

IUPAC2-amino-5-[(1-carboxy-2-prop-2-enylsulfanylethyl)amino]-5-oxopentanoic acid
SMILESC=CCSCC(NC(=O)CCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C11H18N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)
InChIKeyFUTHBNRZCFKVQZ-UHFFFAOYSA-N
MW290.34 g/mol
LogP-0.33
Rot. Bonds10

About 2-amino-5-[(1-carboxy-2-prop-2-enylsulfanylethyl)amino]-5-oxopentanoic acid

2-amino-5-[(1-carboxy-2-prop-2-enylsulfanylethyl)amino]-5-oxopentanoic acid (PubChem CID 11193907) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-amino-5-[(1-carboxy-2-prop-2-enylsulfanylethyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-5-[(1-carboxy-2-prop-2-enylsulfanylethyl)amino]-5-oxopentanoic acid
PubChem CID11193907
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name2-amino-5-[(1-carboxy-2-prop-2-enylsulfanylethyl)amino]-5-oxopentanoic acid
SMILESC=CCSCC(NC(=O)CCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C11H18N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)
InChIKeyFUTHBNRZCFKVQZ-UHFFFAOYSA-N
XLogP-0.33
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-5-[[(1R)-2-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]-1-carboxyethyl]amino]-5-oxopentanoic acid
CID 14253338
2-amino-5-[[(1R)-1-carboxy-2-[(Z)-prop-1-enyl]sulfanylethyl]amino]-5-oxopentanoic acid
CID 70151345
(2S)-2-[(4-amino-4-carboxybutanoyl)amino]pentanedioic acid
CID 87289628
(2R)-2-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-amino-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 71728417
(2S)-2-amino-5-[[(1R)-1-carboxy-2-[(R)-prop-2-enylsulfinyl]ethyl]amino]-5-oxopentanoic acid
CID 162946192
2-[(4-amino-4-carboxybutanoyl)amino]butanedioic acid
CID 5122061
(2R)-2-amino-5-[[(2S)-3-[[(2R)-2-[[(4R)-4-amino-4-carboxybutanoyl]amino]-2-carboxyethyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 131700593
2-amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid
CID 174544229
(2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid
CID 129361384
2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid
CID 89120164
(2R)-3-prop-2-enylsulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid
CID 57369309
(2R)-3-prop-2-enylsulfanyl-2-(sulfanylamino)propanoic acid
CID 20657680

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(1-carboxy-2-prop-2-enylsulfanylethyl)amino]-5-oxopentanoic acid?
The IUPAC name of 2-amino-5-[(1-carboxy-2-prop-2-enylsulfanylethyl)amino]-5-oxopentanoic acid (CID 11193907) is 2-amino-5-[(1-carboxy-2-prop-2-enylsulfanylethyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 2-amino-5-[(1-carboxy-2-prop-2-enylsulfanylethyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 2-amino-5-[(1-carboxy-2-prop-2-enylsulfanylethyl)amino]-5-oxopentanoic acid is C=CCSCC(NC(=O)CCC(N)C(=O)O)C(=O)O.
What is the InChIKey of 2-amino-5-[(1-carboxy-2-prop-2-enylsulfanylethyl)amino]-5-oxopentanoic acid?
The InChIKey is FUTHBNRZCFKVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 2-amino-5-[(1-carboxy-2-prop-2-enylsulfanylethyl)amino]-5-oxopentanoic acid?
2-amino-5-[(1-carboxy-2-prop-2-enylsulfanylethyl)amino]-5-oxopentanoic acid has a molecular weight of 290.34 g/mol, XLogP of -0.33, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(1-carboxy-2-prop-2-enylsulfanylethyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 11193907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).