(2S)-6-amino-2-[3-(2,3-diaminopropanoylamino)propanoylamino]hexanamide

C12H26N6O3 — CID 71460434

IUPAC(2S)-6-amino-2-[3-(2,3-diaminopropanoylamino)propanoylamino]hexanamide
SMILESNCCCC[C@H](NC(=O)CCNC(=O)C(N)CN)C(N)=O
InChIInChI=1S/C12H26N6O3/c13-5-2-1-3-9(11(16)20)18-10(19)4-6-17-12(21)8(15)7-14/h8-9H,1-7,13-15H2,(H2,16,20)(H,17,21)(H,18,19)/t8?,9-/m0/s1
InChIKeyCDCBXNRGYNGHAT-GKAPJAKFSA-N
MW302.38 g/mol
LogP-3.12
Rot. Bonds11

About (2S)-6-amino-2-[3-(2,3-diaminopropanoylamino)propanoylamino]hexanamide

(2S)-6-amino-2-[3-(2,3-diaminopropanoylamino)propanoylamino]hexanamide (PubChem CID 71460434) has the molecular formula C12H26N6O3 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2S)-6-amino-2-[3-(2,3-diaminopropanoylamino)propanoylamino]hexanamide.

Molecular Properties

Compound Name(2S)-6-amino-2-[3-(2,3-diaminopropanoylamino)propanoylamino]hexanamide
PubChem CID71460434
Molecular FormulaC12H26N6O3
Molecular Weight302.38 g/mol
Exact Mass302.21
IUPAC Name(2S)-6-amino-2-[3-(2,3-diaminopropanoylamino)propanoylamino]hexanamide
SMILESNCCCC[C@H](NC(=O)CCNC(=O)C(N)CN)C(N)=O
InChIInChI=1S/C12H26N6O3/c13-5-2-1-3-9(11(16)20)18-10(19)4-6-17-12(21)8(15)7-14/h8-9H,1-7,13-15H2,(H2,16,20)(H,17,21)(H,18,19)/t8?,9-/m0/s1
InChIKeyCDCBXNRGYNGHAT-GKAPJAKFSA-N
XLogP-3.12
TPSA179.35 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.38
LogP ≤ 5-3.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S)-6-amino-2-[3-(2,3-diaminopropanoylamino)propanoylamino]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[3-(2,3-diaminopropanoylamino)propanoylamino]hexanamide?
The IUPAC name of (2S)-6-amino-2-[3-(2,3-diaminopropanoylamino)propanoylamino]hexanamide (CID 71460434) is (2S)-6-amino-2-[3-(2,3-diaminopropanoylamino)propanoylamino]hexanamide.
What is the SMILES notation for (2S)-6-amino-2-[3-(2,3-diaminopropanoylamino)propanoylamino]hexanamide?
The canonical SMILES for (2S)-6-amino-2-[3-(2,3-diaminopropanoylamino)propanoylamino]hexanamide is NCCCC[C@H](NC(=O)CCNC(=O)C(N)CN)C(N)=O.
What is the InChIKey of (2S)-6-amino-2-[3-(2,3-diaminopropanoylamino)propanoylamino]hexanamide?
The InChIKey is CDCBXNRGYNGHAT-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H26N6O3/c13-5-2-1-3-9(11(16)20)18-10(19)4-6-17-12(21)8(15)7-14/h8-9H,1-7,13-15H2,(H2,16,20)(H,17,21)(H,18,19)/t8?,9-/m0/s1.
What are the key properties of (2S)-6-amino-2-[3-(2,3-diaminopropanoylamino)propanoylamino]hexanamide?
(2S)-6-amino-2-[3-(2,3-diaminopropanoylamino)propanoylamino]hexanamide has a molecular weight of 302.38 g/mol, XLogP of -3.12, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-[3-(2,3-diaminopropanoylamino)propanoylamino]hexanamide is sourced from PubChem (CID 71460434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).