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

C8H15N3O3 — CID 174425999

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 Name5-amino-2-(3-aminoprop-2-enylamino)-5-oxopentanoic acid
PubChem CID174425999
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name5-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
XLogP-1.23
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid
CID 173018934
5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid
CID 174327511
(2S)-5-amino-2-(4-hydroxybutylamino)-5-oxopentanoic acid
CID 21134302
(2S)-5-amino-2-formamido-5-oxopentanoic acid
CID 2054353
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
(2S)-5-amino-2-(4-aminobutylamino)-5-oxopentanoic acid
CID 6453601
5-amino-2-[[7-[(4-amino-1-carboxy-4-oxobutyl)amino]-7-oxoheptanoyl]amino]-5-oxopentanoic acid
CID 22096663
5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid
CID 174209954
(2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid
CID 59039488
(2S)-5-amino-2-(octadecylamino)-5-oxopentanoic acid
CID 54197228
(2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride
CID 174954933
(2S)-5-amino-5-oxo-2-[[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoic acid
CID 102123541

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).