(2S)-2-[[2-[[2-(6,6-dimethylmorpholin-2-yl)acetyl]amino]acetyl]amino]propanoic acid;hydrochloride

C13H24ClN3O5 — CID 166394563

IUPAC(2S)-2-[[2-[[2-(6,6-dimethylmorpholin-2-yl)acetyl]amino]acetyl]amino]propanoic acid;hydrochloride
SMILESC[C@H](NC(=O)CNC(=O)CC1CNCC(C)(C)O1)C(=O)O.Cl
InChIInChI=1S/C13H23N3O5.ClH/c1-8(12(19)20)16-11(18)6-15-10(17)4-9-5-14-7-13(2,3)21-9;/h8-9,14H,4-7H2,1-3H3,(H,15,17)(H,16,18)(H,19,20);1H/t8-,9?;/m0./s1
InChIKeyKNPMKVHVGURLHQ-GUORDYTPSA-N
MW337.80 g/mol
LogP-0.73
Rot. Bonds6

About (2S)-2-[[2-[[2-(6,6-dimethylmorpholin-2-yl)acetyl]amino]acetyl]amino]propanoic acid;hydrochloride

(2S)-2-[[2-[[2-(6,6-dimethylmorpholin-2-yl)acetyl]amino]acetyl]amino]propanoic acid;hydrochloride (PubChem CID 166394563) has the molecular formula C13H24ClN3O5 and a molecular weight of 337.80 g/mol. Its IUPAC name is (2S)-2-[[2-[[2-(6,6-dimethylmorpholin-2-yl)acetyl]amino]acetyl]amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[[2-[[2-(6,6-dimethylmorpholin-2-yl)acetyl]amino]acetyl]amino]propanoic acid;hydrochloride
PubChem CID166394563
Molecular FormulaC13H24ClN3O5
Molecular Weight337.80 g/mol
Exact Mass337.14
IUPAC Name(2S)-2-[[2-[[2-(6,6-dimethylmorpholin-2-yl)acetyl]amino]acetyl]amino]propanoic acid;hydrochloride
SMILESC[C@H](NC(=O)CNC(=O)CC1CNCC(C)(C)O1)C(=O)O.Cl
InChIInChI=1S/C13H23N3O5.ClH/c1-8(12(19)20)16-11(18)6-15-10(17)4-9-5-14-7-13(2,3)21-9;/h8-9,14H,4-7H2,1-3H3,(H,15,17)(H,16,18)(H,19,20);1H/t8-,9?;/m0./s1
InChIKeyKNPMKVHVGURLHQ-GUORDYTPSA-N
XLogP-0.73
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.80
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[2-[[2-(6,6-dimethylmorpholin-2-yl)acetyl]amino]acetyl]amino]propanoic acid;hydrochloride 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-[[2-[[2-(6,6-dimethylmorpholin-2-yl)acetyl]amino]acetyl]amino]propanoic acid;hydrochloride?
The IUPAC name of (2S)-2-[[2-[[2-(6,6-dimethylmorpholin-2-yl)acetyl]amino]acetyl]amino]propanoic acid;hydrochloride (CID 166394563) is (2S)-2-[[2-[[2-(6,6-dimethylmorpholin-2-yl)acetyl]amino]acetyl]amino]propanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-[[2-[[2-(6,6-dimethylmorpholin-2-yl)acetyl]amino]acetyl]amino]propanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-[[2-[[2-(6,6-dimethylmorpholin-2-yl)acetyl]amino]acetyl]amino]propanoic acid;hydrochloride is C[C@H](NC(=O)CNC(=O)CC1CNCC(C)(C)O1)C(=O)O.Cl.
What is the InChIKey of (2S)-2-[[2-[[2-(6,6-dimethylmorpholin-2-yl)acetyl]amino]acetyl]amino]propanoic acid;hydrochloride?
The InChIKey is KNPMKVHVGURLHQ-GUORDYTPSA-N. The full InChI is InChI=1S/C13H23N3O5.ClH/c1-8(12(19)20)16-11(18)6-15-10(17)4-9-5-14-7-13(2,3)21-9;/h8-9,14H,4-7H2,1-3H3,(H,15,17)(H,16,18)(H,19,20);1H/t8-,9?;/m0./s1.
What are the key properties of (2S)-2-[[2-[[2-(6,6-dimethylmorpholin-2-yl)acetyl]amino]acetyl]amino]propanoic acid;hydrochloride?
(2S)-2-[[2-[[2-(6,6-dimethylmorpholin-2-yl)acetyl]amino]acetyl]amino]propanoic acid;hydrochloride has a molecular weight of 337.80 g/mol, XLogP of -0.73, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[[2-(6,6-dimethylmorpholin-2-yl)acetyl]amino]acetyl]amino]propanoic acid;hydrochloride is sourced from PubChem (CID 166394563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).