5-amino-2-(3-aminoprop-2-enylamino)-5-oxopentanoic acid

Name: 5-amino-2-(3-aminoprop-2-enylamino)-5-oxopentanoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₁₅N₃O₃ — CID 174425999

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-amino-2-(3-aminoprop-2-enylamino)-5-oxopentanoic acid

SMILESNC=CCNC(CCC(N)=O)C(=O)O

InChIInChI=1S/C8H15N3O3/c9-4-1-5-11-6(8(13)14)2-3-7(10)12/h1,4,6,11H,2-3,5,9H2,(H2,10,12)(H,13,14)

InChIKeyDPHLUZYAOJPLCC-UHFFFAOYSA-N

MW201.23 g/mol

LogP-1.23

Rot. Bonds7

About 5-amino-2-(3-aminoprop-2-enylamino)-5-oxopentanoic acid

5-amino-2-(3-aminoprop-2-enylamino)-5-oxopentanoic acid (PubChem CID 174425999) has the molecular formula C₈H₁₅N₃O₃ and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-amino-2-(3-aminoprop-2-enylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name	5-amino-2-(3-aminoprop-2-enylamino)-5-oxopentanoic acid
PubChem CID	174425999
Molecular Formula	C₈H₁₅N₃O₃
Molecular Weight	201.23 g/mol
Exact Mass	201.11
IUPAC Name	5-amino-2-(3-aminoprop-2-enylamino)-5-oxopentanoic acid
SMILES	NC=CCNC(CCC(N)=O)C(=O)O
InChI	InChI=1S/C8H15N3O3/c9-4-1-5-11-6(8(13)14)2-3-7(10)12/h1,4,6,11H,2-3,5,9H2,(H2,10,12)(H,13,14)
InChIKey	DPHLUZYAOJPLCC-UHFFFAOYSA-N
XLogP	-1.23
TPSA	118.44 Å²
H-Bond Donors	4
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	201.23
LogP ≤ 5	-1.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-aminoprop-2-enylamino)-5-oxopentanoic acid?

The IUPAC name of 5-amino-2-(3-aminoprop-2-enylamino)-5-oxopentanoic acid (CID 174425999) is 5-amino-2-(3-aminoprop-2-enylamino)-5-oxopentanoic acid.

What is the SMILES notation for 5-amino-2-(3-aminoprop-2-enylamino)-5-oxopentanoic acid?

The canonical SMILES for 5-amino-2-(3-aminoprop-2-enylamino)-5-oxopentanoic acid is NC=CCNC(CCC(N)=O)C(=O)O.

What is the InChIKey of 5-amino-2-(3-aminoprop-2-enylamino)-5-oxopentanoic acid?

The InChIKey is DPHLUZYAOJPLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c9-4-1-5-11-6(8(13)14)2-3-7(10)12/h1,4,6,11H,2-3,5,9H2,(H2,10,12)(H,13,14).

What are the key properties of 5-amino-2-(3-aminoprop-2-enylamino)-5-oxopentanoic acid?

5-amino-2-(3-aminoprop-2-enylamino)-5-oxopentanoic acid has a molecular weight of 201.23 g/mol, XLogP of -1.23, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-(3-aminoprop-2-enylamino)-5-oxopentanoic acid is sourced from PubChem (CID 174425999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 174425999 — identifiers, structure, computed properties (public domain)

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