(2R)-2-amino-N-[(1S)-1-[6-(dimethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide

C12H20N4O2 — CID 129077668

IUPAC(2R)-2-amino-N-[(1S)-1-[6-(dimethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide
SMILESC[C@@H](N)C(=O)N[C@H](CO)c1cccc(N(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-8(13)12(18)15-10(7-17)9-5-4-6-11(14-9)16(2)3/h4-6,8,10,17H,7,13H2,1-3H3,(H,15,18)/t8-,10-/m1/s1
InChIKeyVMNBIQXIPGEFRL-PSASIEDQSA-N
MW252.32 g/mol
LogP-0.36
Rot. Bonds5

About (2R)-2-amino-N-[(1S)-1-[6-(dimethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide

(2R)-2-amino-N-[(1S)-1-[6-(dimethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide (PubChem CID 129077668) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1S)-1-[6-(dimethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1S)-1-[6-(dimethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide
PubChem CID129077668
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(2R)-2-amino-N-[(1S)-1-[6-(dimethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide
SMILESC[C@@H](N)C(=O)N[C@H](CO)c1cccc(N(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-8(13)12(18)15-10(7-17)9-5-4-6-11(14-9)16(2)3/h4-6,8,10,17H,7,13H2,1-3H3,(H,15,18)/t8-,10-/m1/s1
InChIKeyVMNBIQXIPGEFRL-PSASIEDQSA-N
XLogP-0.36
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1S)-1-[6-(dimethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[(1S)-1-[6-(dimethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide (CID 129077668) is (2R)-2-amino-N-[(1S)-1-[6-(dimethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[(1S)-1-[6-(dimethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[(1S)-1-[6-(dimethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide is C[C@@H](N)C(=O)N[C@H](CO)c1cccc(N(C)C)n1.
What is the InChIKey of (2R)-2-amino-N-[(1S)-1-[6-(dimethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide?
The InChIKey is VMNBIQXIPGEFRL-PSASIEDQSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(13)12(18)15-10(7-17)9-5-4-6-11(14-9)16(2)3/h4-6,8,10,17H,7,13H2,1-3H3,(H,15,18)/t8-,10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(1S)-1-[6-(dimethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide?
(2R)-2-amino-N-[(1S)-1-[6-(dimethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide has a molecular weight of 252.32 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1S)-1-[6-(dimethylamino)-2-pyridinyl]-2-hydroxyethyl]propanamide is sourced from PubChem (CID 129077668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).