(2S)-2-amino-N-[(2S)-2,5-bis(methylamino)pentyl]pentanediamide

C12H27N5O2 — CID 59688217

IUPAC(2S)-2-amino-N-[(2S)-2,5-bis(methylamino)pentyl]pentanediamide
SMILESCNCCC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)NC
InChIInChI=1S/C12H27N5O2/c1-15-7-3-4-9(16-2)8-17-12(19)10(13)5-6-11(14)18/h9-10,15-16H,3-8,13H2,1-2H3,(H2,14,18)(H,17,19)/t9-,10-/m0/s1
InChIKeyMOEZDQVJZPCEFN-UWVGGRQHSA-N
MW273.38 g/mol
LogP-1.72
Rot. Bonds11

About (2S)-2-amino-N-[(2S)-2,5-bis(methylamino)pentyl]pentanediamide

(2S)-2-amino-N-[(2S)-2,5-bis(methylamino)pentyl]pentanediamide (PubChem CID 59688217) has the molecular formula C12H27N5O2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-2,5-bis(methylamino)pentyl]pentanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-2,5-bis(methylamino)pentyl]pentanediamide
PubChem CID59688217
Molecular FormulaC12H27N5O2
Molecular Weight273.38 g/mol
Exact Mass273.22
IUPAC Name(2S)-2-amino-N-[(2S)-2,5-bis(methylamino)pentyl]pentanediamide
SMILESCNCCC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)NC
InChIInChI=1S/C12H27N5O2/c1-15-7-3-4-9(16-2)8-17-12(19)10(13)5-6-11(14)18/h9-10,15-16H,3-8,13H2,1-2H3,(H2,14,18)(H,17,19)/t9-,10-/m0/s1
InChIKeyMOEZDQVJZPCEFN-UWVGGRQHSA-N
XLogP-1.72
TPSA122.27 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-1.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-[(2S)-2,5-bis(methylamino)pentyl]pentanediamide with MolForge

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Related Compounds

(2S)-6-[[(2R)-2-amino-5-(methylamino)pentanoyl]amino]-N-[(2S)-2,5-bis(methylamino)pentyl]-2-(methylamino)hexanamide
CID 59839919
4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64890076
(2S)-2-amino-6-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid
CID 174585198
(2S)-2-amino-5-(methylamino)-N-(2-sulfanylethyl)pentanamide;ethane
CID 144745680
(2S)-2-amino-N-(5-amino-5-oxopentyl)pentanamide
CID 106235890
(2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide
CID 175614226
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanediamide
CID 143230381
2-amino-N-fluoropentanediamide
CID 145127573
(2S)-2-[[(2R)-2-amino-5-(methylamino)pentanoyl]amino]-N'-[2-(methylamino)ethyl]pentanediamide
CID 59839930
2-amino-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide
CID 143230399
2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide
CID 62473721
tert-butyl 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetate
CID 91979596

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-2,5-bis(methylamino)pentyl]pentanediamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-2,5-bis(methylamino)pentyl]pentanediamide (CID 59688217) is (2S)-2-amino-N-[(2S)-2,5-bis(methylamino)pentyl]pentanediamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-2,5-bis(methylamino)pentyl]pentanediamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-2,5-bis(methylamino)pentyl]pentanediamide is CNCCC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)NC.
What is the InChIKey of (2S)-2-amino-N-[(2S)-2,5-bis(methylamino)pentyl]pentanediamide?
The InChIKey is MOEZDQVJZPCEFN-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H27N5O2/c1-15-7-3-4-9(16-2)8-17-12(19)10(13)5-6-11(14)18/h9-10,15-16H,3-8,13H2,1-2H3,(H2,14,18)(H,17,19)/t9-,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-2,5-bis(methylamino)pentyl]pentanediamide?
(2S)-2-amino-N-[(2S)-2,5-bis(methylamino)pentyl]pentanediamide has a molecular weight of 273.38 g/mol, XLogP of -1.72, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-2,5-bis(methylamino)pentyl]pentanediamide is sourced from PubChem (CID 59688217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).