(2S)-2-amino-3-methylbutanoic acid;morpholine

C9H20N2O3 — CID 68520693

IUPAC(2S)-2-amino-3-methylbutanoic acid;morpholine
SMILESC1COCCN1.CC(C)[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO2.C4H9NO/c1-3(2)4(6)5(7)8;1-3-6-4-2-5-1/h3-4H,6H2,1-2H3,(H,7,8);5H,1-4H2/t4-;/m0./s1
InChIKeyLXOXYMRWTBQDBL-WCCKRBBISA-N
MW204.27 g/mol
LogP-0.34
Rot. Bonds2

About (2S)-2-amino-3-methylbutanoic acid;morpholine

(2S)-2-amino-3-methylbutanoic acid;morpholine (PubChem CID 68520693) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoic acid;morpholine.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanoic acid;morpholine
PubChem CID68520693
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name(2S)-2-amino-3-methylbutanoic acid;morpholine
SMILESC1COCCN1.CC(C)[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO2.C4H9NO/c1-3(2)4(6)5(7)8;1-3-6-4-2-5-1/h3-4H,6H2,1-2H3,(H,7,8);5H,1-4H2/t4-;/m0./s1
InChIKeyLXOXYMRWTBQDBL-WCCKRBBISA-N
XLogP-0.34
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3-methylbutanoic acid;morpholine 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)-2-amino-3-methylbutanoic acid;morpholine?
The IUPAC name of (2S)-2-amino-3-methylbutanoic acid;morpholine (CID 68520693) is (2S)-2-amino-3-methylbutanoic acid;morpholine.
What is the SMILES notation for (2S)-2-amino-3-methylbutanoic acid;morpholine?
The canonical SMILES for (2S)-2-amino-3-methylbutanoic acid;morpholine is C1COCCN1.CC(C)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-methylbutanoic acid;morpholine?
The InChIKey is LXOXYMRWTBQDBL-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2.C4H9NO/c1-3(2)4(6)5(7)8;1-3-6-4-2-5-1/h3-4H,6H2,1-2H3,(H,7,8);5H,1-4H2/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-3-methylbutanoic acid;morpholine?
(2S)-2-amino-3-methylbutanoic acid;morpholine has a molecular weight of 204.27 g/mol, XLogP of -0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutanoic acid;morpholine is sourced from PubChem (CID 68520693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).