(2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride

C11H25Cl2N3O2 — CID 119876449

IUPAC(2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride
SMILESC[C@@H](N)C(=O)NCCN1CCOCC1(C)C.Cl.Cl
InChIInChI=1S/C11H23N3O2.2ClH/c1-9(12)10(15)13-4-5-14-6-7-16-8-11(14,2)3;;/h9H,4-8,12H2,1-3H3,(H,13,15);2*1H/t9-;;/m1../s1
InChIKeyNUJMAFQIAAGEQH-KLQYNRQASA-N
MW302.25 g/mol
LogP0.40
Rot. Bonds4

About (2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride

(2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride (PubChem CID 119876449) has the molecular formula C11H25Cl2N3O2 and a molecular weight of 302.25 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride
PubChem CID119876449
Molecular FormulaC11H25Cl2N3O2
Molecular Weight302.25 g/mol
Exact Mass301.13
IUPAC Name(2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride
SMILESC[C@@H](N)C(=O)NCCN1CCOCC1(C)C.Cl.Cl
InChIInChI=1S/C11H23N3O2.2ClH/c1-9(12)10(15)13-4-5-14-6-7-16-8-11(14,2)3;;/h9H,4-8,12H2,1-3H3,(H,13,15);2*1H/t9-;;/m1../s1
InChIKeyNUJMAFQIAAGEQH-KLQYNRQASA-N
XLogP0.40
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride (CID 119876449) is (2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride is C[C@@H](N)C(=O)NCCN1CCOCC1(C)C.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride?
The InChIKey is NUJMAFQIAAGEQH-KLQYNRQASA-N. The full InChI is InChI=1S/C11H23N3O2.2ClH/c1-9(12)10(15)13-4-5-14-6-7-16-8-11(14,2)3;;/h9H,4-8,12H2,1-3H3,(H,13,15);2*1H/t9-;;/m1../s1.
What are the key properties of (2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride?
(2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride has a molecular weight of 302.25 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride is sourced from PubChem (CID 119876449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).