6-[[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methylsulfanyl]hexanoic acid

C14H24N4O6S — CID 166157806

IUPAC6-[[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methylsulfanyl]hexanoic acid
SMILESO=CNCC(=O)NCC(=O)NCC(=O)NCSCCCCCC(=O)O
InChIInChI=1S/C14H24N4O6S/c19-9-15-6-11(20)16-7-12(21)17-8-13(22)18-10-25-5-3-1-2-4-14(23)24/h9H,1-8,10H2,(H,15,19)(H,16,20)(H,17,21)(H,18,22)(H,23,24)
InChIKeyNUCVBIRNSYRHLJ-UHFFFAOYSA-N
MW376.44 g/mol
LogP-1.58
Rot. Bonds15

About 6-[[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methylsulfanyl]hexanoic acid

6-[[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methylsulfanyl]hexanoic acid (PubChem CID 166157806) has the molecular formula C14H24N4O6S and a molecular weight of 376.44 g/mol. Its IUPAC name is 6-[[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methylsulfanyl]hexanoic acid.

Molecular Properties

Compound Name6-[[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methylsulfanyl]hexanoic acid
PubChem CID166157806
Molecular FormulaC14H24N4O6S
Molecular Weight376.44 g/mol
Exact Mass376.14
IUPAC Name6-[[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methylsulfanyl]hexanoic acid
SMILESO=CNCC(=O)NCC(=O)NCC(=O)NCSCCCCCC(=O)O
InChIInChI=1S/C14H24N4O6S/c19-9-15-6-11(20)16-7-12(21)17-8-13(22)18-10-25-5-3-1-2-4-14(23)24/h9H,1-8,10H2,(H,15,19)(H,16,20)(H,17,21)(H,18,22)(H,23,24)
InChIKeyNUCVBIRNSYRHLJ-UHFFFAOYSA-N
XLogP-1.58
TPSA153.70 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 5-1.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methylsulfanyl]hexanoic acid with MolForge

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Related Compounds

6-[[[2-[[2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]methylsulfanyl]hexanoic acid
CID 177003187
6-(8-oxooctylsulfanyl)hexanoic acid
CID 155263954
2-amino-N-ethylacetamide;ethane;2-formamido-N-(hexylsulfanylmethyl)acetamide;formic acid
CID 153393107
6-(5-carboxypentylsulfanyl)hexanoic acid
CID 11108146
10-(9-carboxynonylsulfanyl)decanoic acid
CID 22572392
(2S)-2-(methylamino)-N-[2-oxo-2-[[2-oxo-2-(6-oxohexylsulfanylmethylamino)ethyl]amino]ethyl]propanamide
CID 171092763
6-[[[2-[[2-[[2-[4-[2,5-dioxo-1-(4-oxopentyl)pyrrolidin-3-yl]sulfanylbutanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]methylsulfanyl]hexanoic acid
CID 155716788
ethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen
CID 169185190
2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
CID 15168777
6-[2-(methylamino)-2-oxoethyl]sulfanylhexanoic acid
CID 58195803
5-(4-carboxybutyldisulfanyl)pentanoic acid
CID 21330220
8-(6-hydroxyhexylsulfanyl)octanoic acid
CID 122401769

Frequently Asked Questions

What is the IUPAC name of 6-[[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methylsulfanyl]hexanoic acid?
The IUPAC name of 6-[[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methylsulfanyl]hexanoic acid (CID 166157806) is 6-[[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methylsulfanyl]hexanoic acid.
What is the SMILES notation for 6-[[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methylsulfanyl]hexanoic acid?
The canonical SMILES for 6-[[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methylsulfanyl]hexanoic acid is O=CNCC(=O)NCC(=O)NCC(=O)NCSCCCCCC(=O)O.
What is the InChIKey of 6-[[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methylsulfanyl]hexanoic acid?
The InChIKey is NUCVBIRNSYRHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O6S/c19-9-15-6-11(20)16-7-12(21)17-8-13(22)18-10-25-5-3-1-2-4-14(23)24/h9H,1-8,10H2,(H,15,19)(H,16,20)(H,17,21)(H,18,22)(H,23,24).
What are the key properties of 6-[[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methylsulfanyl]hexanoic acid?
6-[[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methylsulfanyl]hexanoic acid has a molecular weight of 376.44 g/mol, XLogP of -1.58, 15 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methylsulfanyl]hexanoic acid is sourced from PubChem (CID 166157806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).