(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanamide

C12H26N4O2 — CID 87787079

IUPAC(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanamide
SMILESCC(C)C[C@H](N)C(=O)N[C@@H](CCCCN)C(N)=O
InChIInChI=1S/C12H26N4O2/c1-8(2)7-9(14)12(18)16-10(11(15)17)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H2,15,17)(H,16,18)/t9-,10-/m0/s1
InChIKeyUOPNUUAYTVRJLS-UWVGGRQHSA-N
MW258.37 g/mol
LogP-0.54
Rot. Bonds9

About (2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanamide

(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanamide (PubChem CID 87787079) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is (2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanamide.

Molecular Properties

Compound Name(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanamide
PubChem CID87787079
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanamide
SMILESCC(C)C[C@H](N)C(=O)N[C@@H](CCCCN)C(N)=O
InChIInChI=1S/C12H26N4O2/c1-8(2)7-9(14)12(18)16-10(11(15)17)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H2,15,17)(H,16,18)/t9-,10-/m0/s1
InChIKeyUOPNUUAYTVRJLS-UWVGGRQHSA-N
XLogP-0.54
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 5-0.54
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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Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanamide?
The IUPAC name of (2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanamide (CID 87787079) is (2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanamide.
What is the SMILES notation for (2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanamide?
The canonical SMILES for (2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanamide is CC(C)C[C@H](N)C(=O)N[C@@H](CCCCN)C(N)=O.
What is the InChIKey of (2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanamide?
The InChIKey is UOPNUUAYTVRJLS-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-8(2)7-9(14)12(18)16-10(11(15)17)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H2,15,17)(H,16,18)/t9-,10-/m0/s1.
What are the key properties of (2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanamide?
(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanamide has a molecular weight of 258.37 g/mol, XLogP of -0.54, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanamide is sourced from PubChem (CID 87787079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).