[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate

C15H26N4O5 — CID 2998540

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate
SMILESCC(C)CC(NC(N)=O)C(=O)OCC(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C15H26N4O5/c1-9(2)7-11(18-14(16)22)13(21)24-8-12(20)19-15(23)17-10-5-3-4-6-10/h9-11H,3-8H2,1-2H3,(H3,16,18,22)(H2,17,19,20,23)
InChIKeyIEIZVBJJJKAAGM-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.38
Rot. Bonds7

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate (PubChem CID 2998540) has the molecular formula C15H26N4O5 and a molecular weight of 342.40 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate
PubChem CID2998540
Molecular FormulaC15H26N4O5
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate
SMILESCC(C)CC(NC(N)=O)C(=O)OCC(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C15H26N4O5/c1-9(2)7-11(18-14(16)22)13(21)24-8-12(20)19-15(23)17-10-5-3-4-6-10/h9-11H,3-8H2,1-2H3,(H3,16,18,22)(H2,17,19,20,23)
InChIKeyIEIZVBJJJKAAGM-UHFFFAOYSA-N
XLogP0.38
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate (CID 2998540) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate is CC(C)CC(NC(N)=O)C(=O)OCC(=O)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate?
The InChIKey is IEIZVBJJJKAAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O5/c1-9(2)7-11(18-14(16)22)13(21)24-8-12(20)19-15(23)17-10-5-3-4-6-10/h9-11H,3-8H2,1-2H3,(H3,16,18,22)(H2,17,19,20,23).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate has a molecular weight of 342.40 g/mol, XLogP of 0.38, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate is sourced from PubChem (CID 2998540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).