(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-(butanoylamino)pentanamide

C19H42N6O2 — CID 59104625

IUPAC(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-(butanoylamino)pentanamide
SMILESCCCC(=O)NCCC[C@@H](N)C(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C19H42N6O2/c1-2-8-18(26)24-15-5-9-17(21)19(27)25-16-7-14-23-12-4-3-11-22-13-6-10-20/h17,22-23H,2-16,20-21H2,1H3,(H,24,26)(H,25,27)/t17-/m1/s1
InChIKeyGWXVBCZMHFBJSO-QGZVFWFLSA-N
MW386.59 g/mol
LogP-0.18
Rot. Bonds19

About (2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-(butanoylamino)pentanamide

(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-(butanoylamino)pentanamide (PubChem CID 59104625) has the molecular formula C19H42N6O2 and a molecular weight of 386.59 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-(butanoylamino)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-(butanoylamino)pentanamide
PubChem CID59104625
Molecular FormulaC19H42N6O2
Molecular Weight386.59 g/mol
Exact Mass386.34
IUPAC Name(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-(butanoylamino)pentanamide
SMILESCCCC(=O)NCCC[C@@H](N)C(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C19H42N6O2/c1-2-8-18(26)24-15-5-9-17(21)19(27)25-16-7-14-23-12-4-3-11-22-13-6-10-20/h17,22-23H,2-16,20-21H2,1H3,(H,24,26)(H,25,27)/t17-/m1/s1
InChIKeyGWXVBCZMHFBJSO-QGZVFWFLSA-N
XLogP-0.18
TPSA134.30 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.59
LogP ≤ 5-0.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]butanamide
CID 58260252
2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(butylamino)hexanamide
CID 23400711
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(octadecylamino)hexanamide
CID 11621214
2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 23400695
N-[(5S)-5-amino-6-[3-[4-(butylamino)butylamino]propylamino]-6-oxohexyl]octanamide
CID 159397437
(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide
CID 88877305
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxypropanamide
CID 10924229
(2R)-2,6-diamino-N-dodecylhexanamide
CID 10663029
(2S)-2,6-diamino-N-hexadecylhexanamide
CID 10595298
(2S)-2-amino-5-[3-(4-aminobutylamino)propylamino]-5-oxopentanoic acid
CID 54491991
(2S)-2,6-diamino-N-[6-[[(2S)-2,6-diaminohexanoyl]amino]hexyl]hexanamide
CID 100984594

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-(butanoylamino)pentanamide?
The IUPAC name of (2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-(butanoylamino)pentanamide (CID 59104625) is (2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-(butanoylamino)pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-(butanoylamino)pentanamide?
The canonical SMILES for (2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-(butanoylamino)pentanamide is CCCC(=O)NCCC[C@@H](N)C(=O)NCCCNCCCCNCCCN.
What is the InChIKey of (2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-(butanoylamino)pentanamide?
The InChIKey is GWXVBCZMHFBJSO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H42N6O2/c1-2-8-18(26)24-15-5-9-17(21)19(27)25-16-7-14-23-12-4-3-11-22-13-6-10-20/h17,22-23H,2-16,20-21H2,1H3,(H,24,26)(H,25,27)/t17-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-(butanoylamino)pentanamide?
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-(butanoylamino)pentanamide has a molecular weight of 386.59 g/mol, XLogP of -0.18, 19 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-(butanoylamino)pentanamide is sourced from PubChem (CID 59104625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).