5-(carbamoylamino)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)pentanamide

C16H23N5O6 — CID 129198425

IUPAC5-(carbamoylamino)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)pentanamide
SMILESCC(=O)CNC(=O)C(CCCNC(N)=O)NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C16H23N5O6/c1-10(22)9-19-15(26)11(3-2-7-18-16(17)27)20-12(23)6-8-21-13(24)4-5-14(21)25/h4-5,11H,2-3,6-9H2,1H3,(H,19,26)(H,20,23)(H3,17,18,27)
InChIKeyFVRKZKGOPOFUBH-UHFFFAOYSA-N
MW381.39 g/mol
LogP-2.06
Rot. Bonds11

About 5-(carbamoylamino)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)pentanamide

5-(carbamoylamino)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)pentanamide (PubChem CID 129198425) has the molecular formula C16H23N5O6 and a molecular weight of 381.39 g/mol. Its IUPAC name is 5-(carbamoylamino)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)pentanamide.

Molecular Properties

Compound Name5-(carbamoylamino)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)pentanamide
PubChem CID129198425
Molecular FormulaC16H23N5O6
Molecular Weight381.39 g/mol
Exact Mass381.16
IUPAC Name5-(carbamoylamino)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)pentanamide
SMILESCC(=O)CNC(=O)C(CCCNC(N)=O)NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C16H23N5O6/c1-10(22)9-19-15(26)11(3-2-7-18-16(17)27)20-12(23)6-8-21-13(24)4-5-14(21)25/h4-5,11H,2-3,6-9H2,1H3,(H,19,26)(H,20,23)(H3,17,18,27)
InChIKeyFVRKZKGOPOFUBH-UHFFFAOYSA-N
XLogP-2.06
TPSA167.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)pentanamide?
The IUPAC name of 5-(carbamoylamino)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)pentanamide (CID 129198425) is 5-(carbamoylamino)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)pentanamide.
What is the SMILES notation for 5-(carbamoylamino)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)pentanamide?
The canonical SMILES for 5-(carbamoylamino)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)pentanamide is CC(=O)CNC(=O)C(CCCNC(N)=O)NC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 5-(carbamoylamino)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)pentanamide?
The InChIKey is FVRKZKGOPOFUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O6/c1-10(22)9-19-15(26)11(3-2-7-18-16(17)27)20-12(23)6-8-21-13(24)4-5-14(21)25/h4-5,11H,2-3,6-9H2,1H3,(H,19,26)(H,20,23)(H3,17,18,27).
What are the key properties of 5-(carbamoylamino)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)pentanamide?
5-(carbamoylamino)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)pentanamide has a molecular weight of 381.39 g/mol, XLogP of -2.06, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-(2-oxopropyl)pentanamide is sourced from PubChem (CID 129198425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).