(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid

C11H20N2O4 — CID 938788

IUPAC(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid
SMILESCC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-8(2)7-9(10(14)15)12-11(16)13-3-5-17-6-4-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t9-/m0/s1
InChIKeyNZMAANDPAHYSGM-VIFPVBQESA-N
MW244.29 g/mol
LogP0.53
Rot. Bonds4

About (2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid

(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid (PubChem CID 938788) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid
PubChem CID938788
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid
SMILESCC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-8(2)7-9(10(14)15)12-11(16)13-3-5-17-6-4-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t9-/m0/s1
InChIKeyNZMAANDPAHYSGM-VIFPVBQESA-N
XLogP0.53
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoic 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 (2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid (CID 938788) is (2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid is CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid?
The InChIKey is NZMAANDPAHYSGM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(2)7-9(10(14)15)12-11(16)13-3-5-17-6-4-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid?
(2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(morpholine-4-carbonylamino)pentanoic acid is sourced from PubChem (CID 938788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).