2-hydroxy-N-(2-hydroxyethyl)butanamide

C6H13NO3 — CID 86250603

IUPAC2-hydroxy-N-(2-hydroxyethyl)butanamide
SMILESCCC(O)C(=O)NCCO
InChIInChI=1S/C6H13NO3/c1-2-5(9)6(10)7-3-4-8/h5,8-9H,2-4H2,1H3,(H,7,10)
InChIKeyPQHCWZPTPHYWRX-UHFFFAOYSA-N
MW147.17 g/mol
LogP-1.13
Rot. Bonds4

About 2-hydroxy-N-(2-hydroxyethyl)butanamide

2-hydroxy-N-(2-hydroxyethyl)butanamide (PubChem CID 86250603) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxyethyl)butanamide
PubChem CID86250603
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-hydroxy-N-(2-hydroxyethyl)butanamide
SMILESCCC(O)C(=O)NCCO
InChIInChI=1S/C6H13NO3/c1-2-5(9)6(10)7-3-4-8/h5,8-9H,2-4H2,1H3,(H,7,10)
InChIKeyPQHCWZPTPHYWRX-UHFFFAOYSA-N
XLogP-1.13
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(2-hydroxyethyl)butanamide;phosphoric acid
CID 87238099
2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide
CID 89382357
(2S)-2-hydroxy-N-(2-methoxyethyl)butanamide
CID 118219628
N-(2,3-dihydroxypropyl)-2-hydroxybutanamide
CID 90334941
2-hydroxy-N-(2-hydroxyethyl)-3-methylbutanamide
CID 130024184
2-amino-N,N'-bis(2-hydroxyethyl)propanediamide
CID 173250932
2,2-dichloro-N-(2-hydroxyethyl)acetamide
CID 5228722
N-ethyl-2,4-dihydroxybutanamide
CID 54530435
2-hydroxy-N-(2-hydroxyethyl)propanamide;phosphoric acid
CID 87238089
(2S)-2-amino-N-(2-hydroxyethyl)pentanamide
CID 89064333
N-(2-hydroxyethyl)-2-methyl-3-oxobutanamide
CID 20648240
N,N'-bis(2-hydroxyethyl)-2,4-bis(sulfanyl)pentanediamide
CID 23104493

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)butanamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)butanamide (CID 86250603) is 2-hydroxy-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxyethyl)butanamide is CCC(O)C(=O)NCCO.
What is the InChIKey of 2-hydroxy-N-(2-hydroxyethyl)butanamide?
The InChIKey is PQHCWZPTPHYWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-2-5(9)6(10)7-3-4-8/h5,8-9H,2-4H2,1H3,(H,7,10).
What are the key properties of 2-hydroxy-N-(2-hydroxyethyl)butanamide?
2-hydroxy-N-(2-hydroxyethyl)butanamide has a molecular weight of 147.17 g/mol, XLogP of -1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxyethyl)butanamide is sourced from PubChem (CID 86250603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).