(2S)-2-amino-N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]propyl]-4-methylpentanamide

C15H32N4O2 — CID 12989131

IUPAC(2S)-2-amino-N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]propyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C15H32N4O2/c1-10(2)8-12(16)14(20)18-6-5-7-19-15(21)13(17)9-11(3)4/h10-13H,5-9,16-17H2,1-4H3,(H,18,20)(H,19,21)/t12-,13-/m0/s1
InChIKeyLHCIKPTZQNAQEL-STQMWFEESA-N
MW300.45 g/mol
LogP0.36
Rot. Bonds10

About (2S)-2-amino-N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]propyl]-4-methylpentanamide

(2S)-2-amino-N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]propyl]-4-methylpentanamide (PubChem CID 12989131) has the molecular formula C15H32N4O2 and a molecular weight of 300.45 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]propyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]propyl]-4-methylpentanamide
PubChem CID12989131
Molecular FormulaC15H32N4O2
Molecular Weight300.45 g/mol
Exact Mass300.25
IUPAC Name(2S)-2-amino-N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]propyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C15H32N4O2/c1-10(2)8-12(16)14(20)18-6-5-7-19-15(21)13(17)9-11(3)4/h10-13H,5-9,16-17H2,1-4H3,(H,18,20)(H,19,21)/t12-,13-/m0/s1
InChIKeyLHCIKPTZQNAQEL-STQMWFEESA-N
XLogP0.36
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 50.36
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)-2-amino-N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]propyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]propyl]-4-methylpentanamide (CID 12989131) is (2S)-2-amino-N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]propyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]propyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]propyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NCCCNC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]propyl]-4-methylpentanamide?
The InChIKey is LHCIKPTZQNAQEL-STQMWFEESA-N. The full InChI is InChI=1S/C15H32N4O2/c1-10(2)8-12(16)14(20)18-6-5-7-19-15(21)13(17)9-11(3)4/h10-13H,5-9,16-17H2,1-4H3,(H,18,20)(H,19,21)/t12-,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]propyl]-4-methylpentanamide?
(2S)-2-amino-N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]propyl]-4-methylpentanamide has a molecular weight of 300.45 g/mol, XLogP of 0.36, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]propyl]-4-methylpentanamide is sourced from PubChem (CID 12989131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).