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

C10H20N2O4 — CID 103891023

IUPAC2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
SMILESCCC(CO)(CO)NC(=O)C(C)NC(C)=O
InChIInChI=1S/C10H20N2O4/c1-4-10(5-13,6-14)12-9(16)7(2)11-8(3)15/h7,13-14H,4-6H2,1-3H3,(H,11,15)(H,12,16)
InChIKeyXJIBPRCSMNCJPW-UHFFFAOYSA-N
MW232.28 g/mol
LogP-1.24
Rot. Bonds6

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

2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide (PubChem CID 103891023) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
PubChem CID103891023
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
SMILESCCC(CO)(CO)NC(=O)C(C)NC(C)=O
InChIInChI=1S/C10H20N2O4/c1-4-10(5-13,6-14)12-9(16)7(2)11-8(3)15/h7,13-14H,4-6H2,1-3H3,(H,11,15)(H,12,16)
InChIKeyXJIBPRCSMNCJPW-UHFFFAOYSA-N
XLogP-1.24
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylbutanamide
CID 114010724
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide
CID 103891013
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
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
2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide
CID 62856180
2-(butan-2-ylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 107865562
(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoic acid
CID 5488264
(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide
CID 103929829

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide?
The IUPAC name of 2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide (CID 103891023) is 2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide.
What is the SMILES notation for 2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide?
The canonical SMILES for 2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide is CCC(CO)(CO)NC(=O)C(C)NC(C)=O.
What is the InChIKey of 2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide?
The InChIKey is XJIBPRCSMNCJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-10(5-13,6-14)12-9(16)7(2)11-8(3)15/h7,13-14H,4-6H2,1-3H3,(H,11,15)(H,12,16).
What are the key properties of 2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide?
2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide has a molecular weight of 232.28 g/mol, XLogP of -1.24, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide is sourced from PubChem (CID 103891023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).