(2R)-2-amino-N-[(2R)-3-[ethyl(methyl)amino]-2-hydroxypropyl]but-3-enamide

C10H21N3O2 — CID 90248651

IUPAC(2R)-2-amino-N-[(2R)-3-[ethyl(methyl)amino]-2-hydroxypropyl]but-3-enamide
SMILESC=C[C@@H](N)C(=O)NC[C@@H](O)CN(C)CC
InChIInChI=1S/C10H21N3O2/c1-4-9(11)10(15)12-6-8(14)7-13(3)5-2/h4,8-9,14H,1,5-7,11H2,2-3H3,(H,12,15)/t8-,9-/m1/s1
InChIKeyJSTFXTGTOOZWIQ-RKDXNWHRSA-N
MW215.30 g/mol
LogP-1.07
Rot. Bonds7

About (2R)-2-amino-N-[(2R)-3-[ethyl(methyl)amino]-2-hydroxypropyl]but-3-enamide

(2R)-2-amino-N-[(2R)-3-[ethyl(methyl)amino]-2-hydroxypropyl]but-3-enamide (PubChem CID 90248651) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is (2R)-2-amino-N-[(2R)-3-[ethyl(methyl)amino]-2-hydroxypropyl]but-3-enamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(2R)-3-[ethyl(methyl)amino]-2-hydroxypropyl]but-3-enamide
PubChem CID90248651
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name(2R)-2-amino-N-[(2R)-3-[ethyl(methyl)amino]-2-hydroxypropyl]but-3-enamide
SMILESC=C[C@@H](N)C(=O)NC[C@@H](O)CN(C)CC
InChIInChI=1S/C10H21N3O2/c1-4-9(11)10(15)12-6-8(14)7-13(3)5-2/h4,8-9,14H,1,5-7,11H2,2-3H3,(H,12,15)/t8-,9-/m1/s1
InChIKeyJSTFXTGTOOZWIQ-RKDXNWHRSA-N
XLogP-1.07
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(2R)-3-[ethyl(methyl)amino]-2-hydroxypropyl]but-3-enamide?
The IUPAC name of (2R)-2-amino-N-[(2R)-3-[ethyl(methyl)amino]-2-hydroxypropyl]but-3-enamide (CID 90248651) is (2R)-2-amino-N-[(2R)-3-[ethyl(methyl)amino]-2-hydroxypropyl]but-3-enamide.
What is the SMILES notation for (2R)-2-amino-N-[(2R)-3-[ethyl(methyl)amino]-2-hydroxypropyl]but-3-enamide?
The canonical SMILES for (2R)-2-amino-N-[(2R)-3-[ethyl(methyl)amino]-2-hydroxypropyl]but-3-enamide is C=C[C@@H](N)C(=O)NC[C@@H](O)CN(C)CC.
What is the InChIKey of (2R)-2-amino-N-[(2R)-3-[ethyl(methyl)amino]-2-hydroxypropyl]but-3-enamide?
The InChIKey is JSTFXTGTOOZWIQ-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-4-9(11)10(15)12-6-8(14)7-13(3)5-2/h4,8-9,14H,1,5-7,11H2,2-3H3,(H,12,15)/t8-,9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(2R)-3-[ethyl(methyl)amino]-2-hydroxypropyl]but-3-enamide?
(2R)-2-amino-N-[(2R)-3-[ethyl(methyl)amino]-2-hydroxypropyl]but-3-enamide has a molecular weight of 215.30 g/mol, XLogP of -1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(2R)-3-[ethyl(methyl)amino]-2-hydroxypropyl]but-3-enamide is sourced from PubChem (CID 90248651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).