2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide

C15H28N4O4 — CID 123375259

IUPAC2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide
SMILESCCC(NC(=O)C(NC(=O)C(N)CO)C1CCCCC1)C(N)=O
InChIInChI=1S/C15H28N4O4/c1-2-11(13(17)21)18-15(23)12(9-6-4-3-5-7-9)19-14(22)10(16)8-20/h9-12,20H,2-8,16H2,1H3,(H2,17,21)(H,18,23)(H,19,22)
InChIKeyFDQUWDLXXYKPHD-UHFFFAOYSA-N
MW328.41 g/mol
LogP-1.25
Rot. Bonds8

About 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide

2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide (PubChem CID 123375259) has the molecular formula C15H28N4O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide.

Molecular Properties

Compound Name2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide
PubChem CID123375259
Molecular FormulaC15H28N4O4
Molecular Weight328.41 g/mol
Exact Mass328.21
IUPAC Name2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide
SMILESCCC(NC(=O)C(NC(=O)C(N)CO)C1CCCCC1)C(N)=O
InChIInChI=1S/C15H28N4O4/c1-2-11(13(17)21)18-15(23)12(9-6-4-3-5-7-9)19-14(22)10(16)8-20/h9-12,20H,2-8,16H2,1H3,(H2,17,21)(H,18,23)(H,19,22)
InChIKeyFDQUWDLXXYKPHD-UHFFFAOYSA-N
XLogP-1.25
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 5-1.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide 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 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide?
The IUPAC name of 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide (CID 123375259) is 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide.
What is the SMILES notation for 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide?
The canonical SMILES for 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide is CCC(NC(=O)C(NC(=O)C(N)CO)C1CCCCC1)C(N)=O.
What is the InChIKey of 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide?
The InChIKey is FDQUWDLXXYKPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O4/c1-2-11(13(17)21)18-15(23)12(9-6-4-3-5-7-9)19-14(22)10(16)8-20/h9-12,20H,2-8,16H2,1H3,(H2,17,21)(H,18,23)(H,19,22).
What are the key properties of 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide?
2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide has a molecular weight of 328.41 g/mol, XLogP of -1.25, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-2-cyclohexylacetyl]amino]butanamide is sourced from PubChem (CID 123375259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).