(2R)-2-[[3-methyl-5-(2-morpholin-4-ylethylamino)-5-oxopentyl]amino]butanoic acid

C16H31N3O4 — CID 70069094

IUPAC(2R)-2-[[3-methyl-5-(2-morpholin-4-ylethylamino)-5-oxopentyl]amino]butanoic acid
SMILESCC[C@@H](NCCC(C)CC(=O)NCCN1CCOCC1)C(=O)O
InChIInChI=1S/C16H31N3O4/c1-3-14(16(21)22)17-5-4-13(2)12-15(20)18-6-7-19-8-10-23-11-9-19/h13-14,17H,3-12H2,1-2H3,(H,18,20)(H,21,22)/t13?,14-/m1/s1
InChIKeyJYSHGAVUEREAAH-ARLHGKGLSA-N
MW329.44 g/mol
LogP0.30
Rot. Bonds11

About (2R)-2-[[3-methyl-5-(2-morpholin-4-ylethylamino)-5-oxopentyl]amino]butanoic acid

(2R)-2-[[3-methyl-5-(2-morpholin-4-ylethylamino)-5-oxopentyl]amino]butanoic acid (PubChem CID 70069094) has the molecular formula C16H31N3O4 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2R)-2-[[3-methyl-5-(2-morpholin-4-ylethylamino)-5-oxopentyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-methyl-5-(2-morpholin-4-ylethylamino)-5-oxopentyl]amino]butanoic acid
PubChem CID70069094
Molecular FormulaC16H31N3O4
Molecular Weight329.44 g/mol
Exact Mass329.23
IUPAC Name(2R)-2-[[3-methyl-5-(2-morpholin-4-ylethylamino)-5-oxopentyl]amino]butanoic acid
SMILESCC[C@@H](NCCC(C)CC(=O)NCCN1CCOCC1)C(=O)O
InChIInChI=1S/C16H31N3O4/c1-3-14(16(21)22)17-5-4-13(2)12-15(20)18-6-7-19-8-10-23-11-9-19/h13-14,17H,3-12H2,1-2H3,(H,18,20)(H,21,22)/t13?,14-/m1/s1
InChIKeyJYSHGAVUEREAAH-ARLHGKGLSA-N
XLogP0.30
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[3-methyl-5-(2-morpholin-4-ylethylamino)-5-oxopentyl]amino]butanoic acid 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 (2R)-2-[[3-methyl-5-(2-morpholin-4-ylethylamino)-5-oxopentyl]amino]butanoic acid?
The IUPAC name of (2R)-2-[[3-methyl-5-(2-morpholin-4-ylethylamino)-5-oxopentyl]amino]butanoic acid (CID 70069094) is (2R)-2-[[3-methyl-5-(2-morpholin-4-ylethylamino)-5-oxopentyl]amino]butanoic acid.
What is the SMILES notation for (2R)-2-[[3-methyl-5-(2-morpholin-4-ylethylamino)-5-oxopentyl]amino]butanoic acid?
The canonical SMILES for (2R)-2-[[3-methyl-5-(2-morpholin-4-ylethylamino)-5-oxopentyl]amino]butanoic acid is CC[C@@H](NCCC(C)CC(=O)NCCN1CCOCC1)C(=O)O.
What is the InChIKey of (2R)-2-[[3-methyl-5-(2-morpholin-4-ylethylamino)-5-oxopentyl]amino]butanoic acid?
The InChIKey is JYSHGAVUEREAAH-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H31N3O4/c1-3-14(16(21)22)17-5-4-13(2)12-15(20)18-6-7-19-8-10-23-11-9-19/h13-14,17H,3-12H2,1-2H3,(H,18,20)(H,21,22)/t13?,14-/m1/s1.
What are the key properties of (2R)-2-[[3-methyl-5-(2-morpholin-4-ylethylamino)-5-oxopentyl]amino]butanoic acid?
(2R)-2-[[3-methyl-5-(2-morpholin-4-ylethylamino)-5-oxopentyl]amino]butanoic acid has a molecular weight of 329.44 g/mol, XLogP of 0.30, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-methyl-5-(2-morpholin-4-ylethylamino)-5-oxopentyl]amino]butanoic acid is sourced from PubChem (CID 70069094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).