(2S)-N-[2-(dimethylamino)ethyl]-2-hydroxypropanamide

C7H16N2O2 — CID 45088636

IUPAC(2S)-N-[2-(dimethylamino)ethyl]-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)NCCN(C)C
InChIInChI=1S/C7H16N2O2/c1-6(10)7(11)8-4-5-9(2)3/h6,10H,4-5H2,1-3H3,(H,8,11)/t6-/m0/s1
InChIKeyRAJRKIAZZHITCI-LURJTMIESA-N
MW160.22 g/mol
LogP-0.95
Rot. Bonds4

About (2S)-N-[2-(dimethylamino)ethyl]-2-hydroxypropanamide

(2S)-N-[2-(dimethylamino)ethyl]-2-hydroxypropanamide (PubChem CID 45088636) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (2S)-N-[2-(dimethylamino)ethyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(dimethylamino)ethyl]-2-hydroxypropanamide
PubChem CID45088636
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name(2S)-N-[2-(dimethylamino)ethyl]-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)NCCN(C)C
InChIInChI=1S/C7H16N2O2/c1-6(10)7(11)8-4-5-9(2)3/h6,10H,4-5H2,1-3H3,(H,8,11)/t6-/m0/s1
InChIKeyRAJRKIAZZHITCI-LURJTMIESA-N
XLogP-0.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(dimethylamino)ethyl]-2-hydroxypropanamide?
The IUPAC name of (2S)-N-[2-(dimethylamino)ethyl]-2-hydroxypropanamide (CID 45088636) is (2S)-N-[2-(dimethylamino)ethyl]-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-[2-(dimethylamino)ethyl]-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-[2-(dimethylamino)ethyl]-2-hydroxypropanamide is C[C@H](O)C(=O)NCCN(C)C.
What is the InChIKey of (2S)-N-[2-(dimethylamino)ethyl]-2-hydroxypropanamide?
The InChIKey is RAJRKIAZZHITCI-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N2O2/c1-6(10)7(11)8-4-5-9(2)3/h6,10H,4-5H2,1-3H3,(H,8,11)/t6-/m0/s1.
What are the key properties of (2S)-N-[2-(dimethylamino)ethyl]-2-hydroxypropanamide?
(2S)-N-[2-(dimethylamino)ethyl]-2-hydroxypropanamide has a molecular weight of 160.22 g/mol, XLogP of -0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(dimethylamino)ethyl]-2-hydroxypropanamide is sourced from PubChem (CID 45088636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).