2-formamido-4-[(5-oxopyrrolidin-2-yl)methylsulfanyl]butanoic acid

C10H16N2O4S — CID 107530205

IUPAC2-formamido-4-[(5-oxopyrrolidin-2-yl)methylsulfanyl]butanoic acid
SMILESO=CNC(CCSCC1CCC(=O)N1)C(=O)O
InChIInChI=1S/C10H16N2O4S/c13-6-11-8(10(15)16)3-4-17-5-7-1-2-9(14)12-7/h6-8H,1-5H2,(H,11,13)(H,12,14)(H,15,16)
InChIKeyBVVQVIJHQXHUDZ-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.41
Rot. Bonds8

About 2-formamido-4-[(5-oxopyrrolidin-2-yl)methylsulfanyl]butanoic acid

2-formamido-4-[(5-oxopyrrolidin-2-yl)methylsulfanyl]butanoic acid (PubChem CID 107530205) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-formamido-4-[(5-oxopyrrolidin-2-yl)methylsulfanyl]butanoic acid.

Molecular Properties

Compound Name2-formamido-4-[(5-oxopyrrolidin-2-yl)methylsulfanyl]butanoic acid
PubChem CID107530205
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name2-formamido-4-[(5-oxopyrrolidin-2-yl)methylsulfanyl]butanoic acid
SMILESO=CNC(CCSCC1CCC(=O)N1)C(=O)O
InChIInChI=1S/C10H16N2O4S/c13-6-11-8(10(15)16)3-4-17-5-7-1-2-9(14)12-7/h6-8H,1-5H2,(H,11,13)(H,12,14)(H,15,16)
InChIKeyBVVQVIJHQXHUDZ-UHFFFAOYSA-N
XLogP-0.41
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Prolylmethionine
CID 5233577
Pro-Met
CID 7408173
3-{[1-(Carboxymethyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-2-acetamidopropanoic acid
CID 23647354
Glutaminyl-methionine
CID 54307034
L-Ornithine, compd. with N-acetyl-DL-methionine (1:1)
CID 3043029
2-Amino-5-[[1-(carboxymethylamino)-1-oxo-3-(thiolan-1-ium-1-yl)propan-2-yl]amino]-5-oxopentanoic acid
CID 118753526
2-amino-4-[[(2S)-5-oxopyrrolidin-2-yl]methylsulfanyl]butanoic acid
CID 56677051
Glutaminylmethionine
CID 18218209
N(alpha)-(4-aminobutyryl)cystathionine
CID 132463
N-valeryl l-methionine
CID 28126075
Pro-Asn-Met
CID 10292011
Met-Pro-Gly
CID 11335688

Frequently Asked Questions

What is the IUPAC name of 2-formamido-4-[(5-oxopyrrolidin-2-yl)methylsulfanyl]butanoic acid?
The IUPAC name of 2-formamido-4-[(5-oxopyrrolidin-2-yl)methylsulfanyl]butanoic acid (CID 107530205) is 2-formamido-4-[(5-oxopyrrolidin-2-yl)methylsulfanyl]butanoic acid.
What is the SMILES notation for 2-formamido-4-[(5-oxopyrrolidin-2-yl)methylsulfanyl]butanoic acid?
The canonical SMILES for 2-formamido-4-[(5-oxopyrrolidin-2-yl)methylsulfanyl]butanoic acid is O=CNC(CCSCC1CCC(=O)N1)C(=O)O.
What is the InChIKey of 2-formamido-4-[(5-oxopyrrolidin-2-yl)methylsulfanyl]butanoic acid?
The InChIKey is BVVQVIJHQXHUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c13-6-11-8(10(15)16)3-4-17-5-7-1-2-9(14)12-7/h6-8H,1-5H2,(H,11,13)(H,12,14)(H,15,16).
What are the key properties of 2-formamido-4-[(5-oxopyrrolidin-2-yl)methylsulfanyl]butanoic acid?
2-formamido-4-[(5-oxopyrrolidin-2-yl)methylsulfanyl]butanoic acid has a molecular weight of 260.31 g/mol, XLogP of -0.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-4-[(5-oxopyrrolidin-2-yl)methylsulfanyl]butanoic acid is sourced from PubChem (CID 107530205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).