ethane;4-oxo-4-[[2-oxo-2-(5-oxohexylamino)ethyl]amino]butanoic acid

C14H26N2O5 — CID 144872534

IUPACethane;4-oxo-4-[[2-oxo-2-(5-oxohexylamino)ethyl]amino]butanoic acid
SMILESCC.CC(=O)CCCCNC(=O)CNC(=O)CCC(=O)O
InChIInChI=1S/C12H20N2O5.C2H6/c1-9(15)4-2-3-7-13-11(17)8-14-10(16)5-6-12(18)19;1-2/h2-8H2,1H3,(H,13,17)(H,14,16)(H,18,19);1-2H3
InChIKeyYVESBDUDTLRSLB-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.87
Rot. Bonds10

About ethane;4-oxo-4-[[2-oxo-2-(5-oxohexylamino)ethyl]amino]butanoic acid

ethane;4-oxo-4-[[2-oxo-2-(5-oxohexylamino)ethyl]amino]butanoic acid (PubChem CID 144872534) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethane;4-oxo-4-[[2-oxo-2-(5-oxohexylamino)ethyl]amino]butanoic acid.

Molecular Properties

Compound Nameethane;4-oxo-4-[[2-oxo-2-(5-oxohexylamino)ethyl]amino]butanoic acid
PubChem CID144872534
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Nameethane;4-oxo-4-[[2-oxo-2-(5-oxohexylamino)ethyl]amino]butanoic acid
SMILESCC.CC(=O)CCCCNC(=O)CNC(=O)CCC(=O)O
InChIInChI=1S/C12H20N2O5.C2H6/c1-9(15)4-2-3-7-13-11(17)8-14-10(16)5-6-12(18)19;1-2/h2-8H2,1H3,(H,13,17)(H,14,16)(H,18,19);1-2H3
InChIKeyYVESBDUDTLRSLB-UHFFFAOYSA-N
XLogP0.87
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[11-[[2-(3-carboxypropanoylamino)acetyl]amino]undecylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 89444985
8,13-dioxo-13-(6-oxoheptylamino)tridecanoic acid
CID 159429348
4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid
CID 3888239
6-[(2-acetamidoacetyl)amino]hexanoic acid
CID 24693828
ethane;N-(6-oxoheptyl)butanamide
CID 143878068
N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane
CID 145408136
methanol;18-oxo-N-(8-oxononyl)octadecanamide
CID 144779859
ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
CID 177339122
6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide
CID 20656550
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium
CID 59926153

Frequently Asked Questions

What is the IUPAC name of ethane;4-oxo-4-[[2-oxo-2-(5-oxohexylamino)ethyl]amino]butanoic acid?
The IUPAC name of ethane;4-oxo-4-[[2-oxo-2-(5-oxohexylamino)ethyl]amino]butanoic acid (CID 144872534) is ethane;4-oxo-4-[[2-oxo-2-(5-oxohexylamino)ethyl]amino]butanoic acid.
What is the SMILES notation for ethane;4-oxo-4-[[2-oxo-2-(5-oxohexylamino)ethyl]amino]butanoic acid?
The canonical SMILES for ethane;4-oxo-4-[[2-oxo-2-(5-oxohexylamino)ethyl]amino]butanoic acid is CC.CC(=O)CCCCNC(=O)CNC(=O)CCC(=O)O.
What is the InChIKey of ethane;4-oxo-4-[[2-oxo-2-(5-oxohexylamino)ethyl]amino]butanoic acid?
The InChIKey is YVESBDUDTLRSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5.C2H6/c1-9(15)4-2-3-7-13-11(17)8-14-10(16)5-6-12(18)19;1-2/h2-8H2,1H3,(H,13,17)(H,14,16)(H,18,19);1-2H3.
What are the key properties of ethane;4-oxo-4-[[2-oxo-2-(5-oxohexylamino)ethyl]amino]butanoic acid?
ethane;4-oxo-4-[[2-oxo-2-(5-oxohexylamino)ethyl]amino]butanoic acid has a molecular weight of 302.37 g/mol, XLogP of 0.87, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-oxo-4-[[2-oxo-2-(5-oxohexylamino)ethyl]amino]butanoic acid is sourced from PubChem (CID 144872534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).