2-amino-5-[[carboxy-[(Z)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid

C10H16N2O5S — CID 88921658

IUPAC2-amino-5-[[carboxy-[(Z)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid
SMILESC/C=C\SC(NC(=O)CCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C10H16N2O5S/c1-2-5-18-8(10(16)17)12-7(13)4-3-6(11)9(14)15/h2,5-6,8H,3-4,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/b5-2-
InChIKeyIMDMJJAEVKFIJE-DJWKRKHSSA-N
MW276.31 g/mol
LogP-0.03
Rot. Bonds8

About 2-amino-5-[[carboxy-[(Z)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid

2-amino-5-[[carboxy-[(Z)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid (PubChem CID 88921658) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-amino-5-[[carboxy-[(Z)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-5-[[carboxy-[(Z)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid
PubChem CID88921658
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Name2-amino-5-[[carboxy-[(Z)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid
SMILESC/C=C\SC(NC(=O)CCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C10H16N2O5S/c1-2-5-18-8(10(16)17)12-7(13)4-3-6(11)9(14)15/h2,5-6,8H,3-4,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/b5-2-
InChIKeyIMDMJJAEVKFIJE-DJWKRKHSSA-N
XLogP-0.03
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[carboxy-[(Z)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid?
The IUPAC name of 2-amino-5-[[carboxy-[(Z)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid (CID 88921658) is 2-amino-5-[[carboxy-[(Z)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 2-amino-5-[[carboxy-[(Z)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 2-amino-5-[[carboxy-[(Z)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid is C/C=C\SC(NC(=O)CCC(N)C(=O)O)C(=O)O.
What is the InChIKey of 2-amino-5-[[carboxy-[(Z)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid?
The InChIKey is IMDMJJAEVKFIJE-DJWKRKHSSA-N. The full InChI is InChI=1S/C10H16N2O5S/c1-2-5-18-8(10(16)17)12-7(13)4-3-6(11)9(14)15/h2,5-6,8H,3-4,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/b5-2-.
What are the key properties of 2-amino-5-[[carboxy-[(Z)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid?
2-amino-5-[[carboxy-[(Z)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid has a molecular weight of 276.31 g/mol, XLogP of -0.03, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[carboxy-[(Z)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 88921658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).