(2S)-2-hydroxy-N-(2-methoxyethyl)butanamide

C7H15NO3 — CID 118219628

IUPAC(2S)-2-hydroxy-N-(2-methoxyethyl)butanamide
SMILESCC[C@H](O)C(=O)NCCOC
InChIInChI=1S/C7H15NO3/c1-3-6(9)7(10)8-4-5-11-2/h6,9H,3-5H2,1-2H3,(H,8,10)/t6-/m0/s1
InChIKeyQCIPIWDHUMOIPU-LURJTMIESA-N
MW161.20 g/mol
LogP-0.48
Rot. Bonds5

About (2S)-2-hydroxy-N-(2-methoxyethyl)butanamide

(2S)-2-hydroxy-N-(2-methoxyethyl)butanamide (PubChem CID 118219628) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-(2-methoxyethyl)butanamide
PubChem CID118219628
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2S)-2-hydroxy-N-(2-methoxyethyl)butanamide
SMILESCC[C@H](O)C(=O)NCCOC
InChIInChI=1S/C7H15NO3/c1-3-6(9)7(10)8-4-5-11-2/h6,9H,3-5H2,1-2H3,(H,8,10)/t6-/m0/s1
InChIKeyQCIPIWDHUMOIPU-LURJTMIESA-N
XLogP-0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(2-hydroxyethyl)butanamide
CID 86250603
2-hydroxy-N-(2-hydroxyethyl)butanamide;phosphoric acid
CID 87238099
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
1-(2-methoxyethyl)-3-pentan-3-ylurea
CID 108888239
N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 59789572
2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide
CID 64913516
N-(2-methoxyethyl)-2-(2-methylbutylamino)propanamide
CID 62694565
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 103794285
(2S)-2-hydroxy-N-(3-methoxypropyl)-4-methylpentanamide
CID 118216551
(2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide
CID 79023015
N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718
2-amino-3-hydroxy-N-(2-methoxyethyl)propanamide
CID 59658304

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-(2-methoxyethyl)butanamide?
The IUPAC name of (2S)-2-hydroxy-N-(2-methoxyethyl)butanamide (CID 118219628) is (2S)-2-hydroxy-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-(2-methoxyethyl)butanamide?
The canonical SMILES for (2S)-2-hydroxy-N-(2-methoxyethyl)butanamide is CC[C@H](O)C(=O)NCCOC.
What is the InChIKey of (2S)-2-hydroxy-N-(2-methoxyethyl)butanamide?
The InChIKey is QCIPIWDHUMOIPU-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO3/c1-3-6(9)7(10)8-4-5-11-2/h6,9H,3-5H2,1-2H3,(H,8,10)/t6-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-(2-methoxyethyl)butanamide?
(2S)-2-hydroxy-N-(2-methoxyethyl)butanamide has a molecular weight of 161.20 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 118219628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).