(3S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxamide

C15H27N5O4 — CID 126629468

IUPAC(3S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxamide
SMILESCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)N1)C(C)C
InChIInChI=1S/C15H27N5O4/c1-8(2)12(18-10(4)21)14(23)17-9(3)15(24)20-7-5-6-11(19-20)13(16)22/h8-9,11-12,19H,5-7H2,1-4H3,(H2,16,22)(H,17,23)(H,18,21)/t9-,11-,12-/m0/s1
InChIKeyYZYBROSZTISZPI-DLOVCJGASA-N
MW341.41 g/mol
LogP-1.37
Rot. Bonds6

About (3S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxamide

(3S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxamide (PubChem CID 126629468) has the molecular formula C15H27N5O4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxamide
PubChem CID126629468
Molecular FormulaC15H27N5O4
Molecular Weight341.41 g/mol
Exact Mass341.21
IUPAC Name(3S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxamide
SMILESCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)N1)C(C)C
InChIInChI=1S/C15H27N5O4/c1-8(2)12(18-10(4)21)14(23)17-9(3)15(24)20-7-5-6-11(19-20)13(16)22/h8-9,11-12,19H,5-7H2,1-4H3,(H2,16,22)(H,17,23)(H,18,21)/t9-,11-,12-/m0/s1
InChIKeyYZYBROSZTISZPI-DLOVCJGASA-N
XLogP-1.37
TPSA133.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxamide 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 (3S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxamide?
The IUPAC name of (3S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxamide (CID 126629468) is (3S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxamide?
The canonical SMILES for (3S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxamide is CC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)N1)C(C)C.
What is the InChIKey of (3S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxamide?
The InChIKey is YZYBROSZTISZPI-DLOVCJGASA-N. The full InChI is InChI=1S/C15H27N5O4/c1-8(2)12(18-10(4)21)14(23)17-9(3)15(24)20-7-5-6-11(19-20)13(16)22/h8-9,11-12,19H,5-7H2,1-4H3,(H2,16,22)(H,17,23)(H,18,21)/t9-,11-,12-/m0/s1.
What are the key properties of (3S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxamide?
(3S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of -1.37, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxamide is sourced from PubChem (CID 126629468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).