(2S)-2-amino-N,N-diethyl-3-methoxypropanamide

C8H18N2O2 — CID 122500975

IUPAC(2S)-2-amino-N,N-diethyl-3-methoxypropanamide
SMILESCCN(CC)C(=O)[C@@H](N)COC
InChIInChI=1S/C8H18N2O2/c1-4-10(5-2)8(11)7(9)6-12-3/h7H,4-6,9H2,1-3H3/t7-/m0/s1
InChIKeyQSBSUXKEMVTOMW-ZETCQYMHSA-N
MW174.24 g/mol
LogP-0.17
Rot. Bonds5

About (2S)-2-amino-N,N-diethyl-3-methoxypropanamide

(2S)-2-amino-N,N-diethyl-3-methoxypropanamide (PubChem CID 122500975) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2S)-2-amino-N,N-diethyl-3-methoxypropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,N-diethyl-3-methoxypropanamide
PubChem CID122500975
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name(2S)-2-amino-N,N-diethyl-3-methoxypropanamide
SMILESCCN(CC)C(=O)[C@@H](N)COC
InChIInChI=1S/C8H18N2O2/c1-4-10(5-2)8(11)7(9)6-12-3/h7H,4-6,9H2,1-3H3/t7-/m0/s1
InChIKeyQSBSUXKEMVTOMW-ZETCQYMHSA-N
XLogP-0.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,N-diethyl-3-methoxypropanamide?
The IUPAC name of (2S)-2-amino-N,N-diethyl-3-methoxypropanamide (CID 122500975) is (2S)-2-amino-N,N-diethyl-3-methoxypropanamide.
What is the SMILES notation for (2S)-2-amino-N,N-diethyl-3-methoxypropanamide?
The canonical SMILES for (2S)-2-amino-N,N-diethyl-3-methoxypropanamide is CCN(CC)C(=O)[C@@H](N)COC.
What is the InChIKey of (2S)-2-amino-N,N-diethyl-3-methoxypropanamide?
The InChIKey is QSBSUXKEMVTOMW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-4-10(5-2)8(11)7(9)6-12-3/h7H,4-6,9H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N,N-diethyl-3-methoxypropanamide?
(2S)-2-amino-N,N-diethyl-3-methoxypropanamide has a molecular weight of 174.24 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,N-diethyl-3-methoxypropanamide is sourced from PubChem (CID 122500975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).