2-amino-5-[(1-carboxy-2-methylsulfanylethyl)-formylamino]-5-oxopentanoic acid

C10H16N2O6S — CID 142140893

IUPAC2-amino-5-[(1-carboxy-2-methylsulfanylethyl)-formylamino]-5-oxopentanoic acid
SMILESCSCC(C(=O)O)N(C=O)C(=O)CCC(N)C(=O)O
InChIInChI=1S/C10H16N2O6S/c1-19-4-7(10(17)18)12(5-13)8(14)3-2-6(11)9(15)16/h5-7H,2-4,11H2,1H3,(H,15,16)(H,17,18)
InChIKeyJPNBLLYDRXWCMZ-UHFFFAOYSA-N
MW292.31 g/mol
LogP-1.02
Rot. Bonds9

About 2-amino-5-[(1-carboxy-2-methylsulfanylethyl)-formylamino]-5-oxopentanoic acid

2-amino-5-[(1-carboxy-2-methylsulfanylethyl)-formylamino]-5-oxopentanoic acid (PubChem CID 142140893) has the molecular formula C10H16N2O6S and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-amino-5-[(1-carboxy-2-methylsulfanylethyl)-formylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-5-[(1-carboxy-2-methylsulfanylethyl)-formylamino]-5-oxopentanoic acid
PubChem CID142140893
Molecular FormulaC10H16N2O6S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC Name2-amino-5-[(1-carboxy-2-methylsulfanylethyl)-formylamino]-5-oxopentanoic acid
SMILESCSCC(C(=O)O)N(C=O)C(=O)CCC(N)C(=O)O
InChIInChI=1S/C10H16N2O6S/c1-19-4-7(10(17)18)12(5-13)8(14)3-2-6(11)9(15)16/h5-7H,2-4,11H2,1H3,(H,15,16)(H,17,18)
InChIKeyJPNBLLYDRXWCMZ-UHFFFAOYSA-N
XLogP-1.02
TPSA138.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-aminopentanedioic acid;N,N-dimethylformamide
CID 174735498
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496
2-amino-4-methylsulfanylbutanoic acid
CID 876
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
2,5-diamino-5-oxopentanoic acid
CID 738
2-amino-4-methylsulfanylbutanoic acid;ethoxyethane
CID 141375461
(2R)-2-aminopentanedioic acid;formamide
CID 87175197
CID 173007920
CID 173007920

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(1-carboxy-2-methylsulfanylethyl)-formylamino]-5-oxopentanoic acid?
The IUPAC name of 2-amino-5-[(1-carboxy-2-methylsulfanylethyl)-formylamino]-5-oxopentanoic acid (CID 142140893) is 2-amino-5-[(1-carboxy-2-methylsulfanylethyl)-formylamino]-5-oxopentanoic acid.
What is the SMILES notation for 2-amino-5-[(1-carboxy-2-methylsulfanylethyl)-formylamino]-5-oxopentanoic acid?
The canonical SMILES for 2-amino-5-[(1-carboxy-2-methylsulfanylethyl)-formylamino]-5-oxopentanoic acid is CSCC(C(=O)O)N(C=O)C(=O)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-[(1-carboxy-2-methylsulfanylethyl)-formylamino]-5-oxopentanoic acid?
The InChIKey is JPNBLLYDRXWCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6S/c1-19-4-7(10(17)18)12(5-13)8(14)3-2-6(11)9(15)16/h5-7H,2-4,11H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-amino-5-[(1-carboxy-2-methylsulfanylethyl)-formylamino]-5-oxopentanoic acid?
2-amino-5-[(1-carboxy-2-methylsulfanylethyl)-formylamino]-5-oxopentanoic acid has a molecular weight of 292.31 g/mol, XLogP of -1.02, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(1-carboxy-2-methylsulfanylethyl)-formylamino]-5-oxopentanoic acid is sourced from PubChem (CID 142140893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).