(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate

C24H30N4O15 — CID 129124819

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate
SMILESCc1oc(=O)oc1COC(=O)NCCN(CCN(CCN)C(=O)OCc1oc(=O)oc1C)C(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C24H30N4O15/c1-13-16(41-22(32)38-13)10-35-19(29)26-5-7-28(21(31)37-12-18-15(3)40-24(34)43-18)9-8-27(6-4-25)20(30)36-11-17-14(2)39-23(33)42-17/h4-12,25H2,1-3H3,(H,26,29)
InChIKeyXXNDPGJQGGFNJN-UHFFFAOYSA-N
MW614.52 g/mol
LogP0.71
Rot. Bonds14

About (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate (PubChem CID 129124819) has the molecular formula C24H30N4O15 and a molecular weight of 614.52 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate
PubChem CID129124819
Molecular FormulaC24H30N4O15
Molecular Weight614.52 g/mol
Exact Mass614.17
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate
SMILESCc1oc(=O)oc1COC(=O)NCCN(CCN(CCN)C(=O)OCc1oc(=O)oc1C)C(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C24H30N4O15/c1-13-16(41-22(32)38-13)10-35-19(29)26-5-7-28(21(31)37-12-18-15(3)40-24(34)43-18)9-8-27(6-4-25)20(30)36-11-17-14(2)39-23(33)42-17/h4-12,25H2,1-3H3,(H,26,29)
InChIKeyXXNDPGJQGGFNJN-UHFFFAOYSA-N
XLogP0.71
TPSA253.48 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.52
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate (CID 129124819) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate is Cc1oc(=O)oc1COC(=O)NCCN(CCN(CCN)C(=O)OCc1oc(=O)oc1C)C(=O)OCc1oc(=O)oc1C.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate?
The InChIKey is XXNDPGJQGGFNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O15/c1-13-16(41-22(32)38-13)10-35-19(29)26-5-7-28(21(31)37-12-18-15(3)40-24(34)43-18)9-8-27(6-4-25)20(30)36-11-17-14(2)39-23(33)42-17/h4-12,25H2,1-3H3,(H,26,29).
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate has a molecular weight of 614.52 g/mol, XLogP of 0.71, 14 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate is sourced from PubChem (CID 129124819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).