5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid

C20H41N3O3 — CID 174209954

IUPAC5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid
SMILESNCCCCCCCCCCCCCCCNC(CCC(N)=O)C(=O)O
InChIInChI=1S/C20H41N3O3/c21-16-12-10-8-6-4-2-1-3-5-7-9-11-13-17-23-18(20(25)26)14-15-19(22)24/h18,23H,1-17,21H2,(H2,22,24)(H,25,26)
InChIKeyZGLOSSKAKWABIT-UHFFFAOYSA-N
MW371.57 g/mol
LogP3.32
Rot. Bonds20

About 5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid

5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid (PubChem CID 174209954) has the molecular formula C20H41N3O3 and a molecular weight of 371.57 g/mol. Its IUPAC name is 5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid
PubChem CID174209954
Molecular FormulaC20H41N3O3
Molecular Weight371.57 g/mol
Exact Mass371.31
IUPAC Name5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid
SMILESNCCCCCCCCCCCCCCCNC(CCC(N)=O)C(=O)O
InChIInChI=1S/C20H41N3O3/c21-16-12-10-8-6-4-2-1-3-5-7-9-11-13-17-23-18(20(25)26)14-15-19(22)24/h18,23H,1-17,21H2,(H2,22,24)(H,25,26)
InChIKeyZGLOSSKAKWABIT-UHFFFAOYSA-N
XLogP3.32
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-amino-2-(4-aminobutylamino)-5-oxopentanoic acid
CID 6453601
(2S)-5-amino-2-(octadecylamino)-5-oxopentanoic acid
CID 54197228
(2S)-5-amino-2-(4-hydroxybutylamino)-5-oxopentanoic acid
CID 21134302
5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride
CID 174056033
(2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride
CID 174954933
2-(6-aminohexylamino)decanedioic acid
CID 140815288
(2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid
CID 164521049
6-amino-2-(hexylamino)hexanoic acid
CID 87424914
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426
(2S)-2-(5-aminopentylamino)butanedioic acid
CID 122552658
(2S)-6-amino-2-(3,3-dihydroxypropylamino)hexanoic acid
CID 87855201
6-amino-2-(pentylamino)hexanoic acid;azane
CID 174768521

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid (CID 174209954) is 5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid is NCCCCCCCCCCCCCCCNC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid?
The InChIKey is ZGLOSSKAKWABIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3O3/c21-16-12-10-8-6-4-2-1-3-5-7-9-11-13-17-23-18(20(25)26)14-15-19(22)24/h18,23H,1-17,21H2,(H2,22,24)(H,25,26).
What are the key properties of 5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid?
5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid has a molecular weight of 371.57 g/mol, XLogP of 3.32, 20 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid is sourced from PubChem (CID 174209954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).