methyl 4-[4-[(4-methoxy-4-oxobutanoyl)amino]butylamino]-4-oxobutanoate

C14H24N2O6 — CID 10064340

IUPACmethyl 4-[4-[(4-methoxy-4-oxobutanoyl)amino]butylamino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NCCCCNC(=O)CCC(=O)OC
InChIInChI=1S/C14H24N2O6/c1-21-13(19)7-5-11(17)15-9-3-4-10-16-12(18)6-8-14(20)22-2/h3-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeySQIRRBHAQGIWRC-UHFFFAOYSA-N
MW316.35 g/mol
LogP-0.09
Rot. Bonds11

About methyl 4-[4-[(4-methoxy-4-oxobutanoyl)amino]butylamino]-4-oxobutanoate

methyl 4-[4-[(4-methoxy-4-oxobutanoyl)amino]butylamino]-4-oxobutanoate (PubChem CID 10064340) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is methyl 4-[4-[(4-methoxy-4-oxobutanoyl)amino]butylamino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[4-[(4-methoxy-4-oxobutanoyl)amino]butylamino]-4-oxobutanoate
PubChem CID10064340
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Namemethyl 4-[4-[(4-methoxy-4-oxobutanoyl)amino]butylamino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NCCCCNC(=O)CCC(=O)OC
InChIInChI=1S/C14H24N2O6/c1-21-13(19)7-5-11(17)15-9-3-4-10-16-12(18)6-8-14(20)22-2/h3-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeySQIRRBHAQGIWRC-UHFFFAOYSA-N
XLogP-0.09
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-[4-[(4-methoxy-4-oxobutanoyl)amino]butylamino]-4-oxobutanoate with MolForge

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Related Compounds

N-hydroxy-N-succinyl-putrescine
CID 91820031
4,4'-(Ethylenediimino)bis(4-oxobutyric) acid
CID 90288
3-[(3-Methoxypropyl)carbamoyl]propanoic acid
CID 9154966
N1-succinylspermidine
CID 85652585
Butanoic acid, 4-(methylamino)-4-oxo-, methyl ester
CID 111578
Methyl 4-acetamidobutyrate
CID 12806311
N1-acetyl,N8-succinylspermidine
CID 168475454
N1-succinyl,N8-acetylspermidine
CID 168475455
N8-succinylspermidine
CID 168475460
4-(3-Methoxycarbonyl-propylamino)-butyric acid methyl ester
CID 54310204
Butanoic acid, 4-oxo-4-(2-propynylamino)-, methyl ester
CID 86014944
Methyl 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-4-oxobutanoate
CID 135021489

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[(4-methoxy-4-oxobutanoyl)amino]butylamino]-4-oxobutanoate?
The IUPAC name of methyl 4-[4-[(4-methoxy-4-oxobutanoyl)amino]butylamino]-4-oxobutanoate (CID 10064340) is methyl 4-[4-[(4-methoxy-4-oxobutanoyl)amino]butylamino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[4-[(4-methoxy-4-oxobutanoyl)amino]butylamino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[4-[(4-methoxy-4-oxobutanoyl)amino]butylamino]-4-oxobutanoate is COC(=O)CCC(=O)NCCCCNC(=O)CCC(=O)OC.
What is the InChIKey of methyl 4-[4-[(4-methoxy-4-oxobutanoyl)amino]butylamino]-4-oxobutanoate?
The InChIKey is SQIRRBHAQGIWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O6/c1-21-13(19)7-5-11(17)15-9-3-4-10-16-12(18)6-8-14(20)22-2/h3-10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of methyl 4-[4-[(4-methoxy-4-oxobutanoyl)amino]butylamino]-4-oxobutanoate?
methyl 4-[4-[(4-methoxy-4-oxobutanoyl)amino]butylamino]-4-oxobutanoate has a molecular weight of 316.35 g/mol, XLogP of -0.09, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[(4-methoxy-4-oxobutanoyl)amino]butylamino]-4-oxobutanoate is sourced from PubChem (CID 10064340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).