N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide

C9H19NO4 — CID 103891013

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide
SMILESCCC(CO)(CO)NC(=O)C(C)OC
InChIInChI=1S/C9H19NO4/c1-4-9(5-11,6-12)10-8(13)7(2)14-3/h7,11-12H,4-6H2,1-3H3,(H,10,13)
InChIKeyFXACTWJPNFANJV-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.73
Rot. Bonds6

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide (PubChem CID 103891013) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide
PubChem CID103891013
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide
SMILESCCC(CO)(CO)NC(=O)C(C)OC
InChIInChI=1S/C9H19NO4/c1-4-9(5-11,6-12)10-8(13)7(2)14-3/h7,11-12H,4-6H2,1-3H3,(H,10,13)
InChIKeyFXACTWJPNFANJV-UHFFFAOYSA-N
XLogP-0.73
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107865103
2-bromo-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107906051
2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 103891023
2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylbutanamide
CID 114010724
2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide
CID 62856180
N-[3-(hydroxymethyl)pentan-3-yl]-2-(propylsulfonylamino)propanamide
CID 55082542
5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpentanamide
CID 107865586
2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide
CID 114010603
[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamic acid
CID 54273301
N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxy-2-phenylacetamide
CID 62521933
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxy-2-methylpropanamide
CID 107866520
(2R)-2-ethyl-2-[[(2R)-2-methoxypropanoyl]amino]-3-methylbutanamide
CID 97348922

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide (CID 103891013) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide is CCC(CO)(CO)NC(=O)C(C)OC.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide?
The InChIKey is FXACTWJPNFANJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-4-9(5-11,6-12)10-8(13)7(2)14-3/h7,11-12H,4-6H2,1-3H3,(H,10,13).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide has a molecular weight of 205.25 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide is sourced from PubChem (CID 103891013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).