(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide

C13H31N5O — CID 10989432

IUPAC(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide
SMILESC[C@H](N)C(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C13H31N5O/c1-12(15)13(19)18-11-5-10-17-8-3-2-7-16-9-4-6-14/h12,16-17H,2-11,14-15H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyLRLUDTRUAPOFGI-LBPRGKRZSA-N
MW273.42 g/mol
LogP-0.85
Rot. Bonds13

About (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide

(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide (PubChem CID 10989432) has the molecular formula C13H31N5O and a molecular weight of 273.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide
PubChem CID10989432
Molecular FormulaC13H31N5O
Molecular Weight273.42 g/mol
Exact Mass273.25
IUPAC Name(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide
SMILESC[C@H](N)C(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C13H31N5O/c1-12(15)13(19)18-11-5-10-17-8-3-2-7-16-9-4-6-14/h12,16-17H,2-11,14-15H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyLRLUDTRUAPOFGI-LBPRGKRZSA-N
XLogP-0.85
TPSA105.20 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 5-0.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide (CID 10989432) is (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide is C[C@H](N)C(=O)NCCCNCCCCNCCCN.
What is the InChIKey of (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide?
The InChIKey is LRLUDTRUAPOFGI-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H31N5O/c1-12(15)13(19)18-11-5-10-17-8-3-2-7-16-9-4-6-14/h12,16-17H,2-11,14-15H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide?
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide has a molecular weight of 273.42 g/mol, XLogP of -0.85, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide is sourced from PubChem (CID 10989432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).