2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylbutanamide

C12H24N2O4 — CID 114010724

IUPAC2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylbutanamide
SMILESCCC(CO)(CO)NC(=O)C(NC(C)=O)C(C)C
InChIInChI=1S/C12H24N2O4/c1-5-12(6-15,7-16)14-11(18)10(8(2)3)13-9(4)17/h8,10,15-16H,5-7H2,1-4H3,(H,13,17)(H,14,18)
InChIKeyLDCLQVCWQVUCBM-UHFFFAOYSA-N
MW260.33 g/mol
LogP-0.60
Rot. Bonds7

About 2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylbutanamide

2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylbutanamide (PubChem CID 114010724) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylbutanamide
PubChem CID114010724
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylbutanamide
SMILESCCC(CO)(CO)NC(=O)C(NC(C)=O)C(C)C
InChIInChI=1S/C12H24N2O4/c1-5-12(6-15,7-16)14-11(18)10(8(2)3)13-9(4)17/h8,10,15-16H,5-7H2,1-4H3,(H,13,17)(H,14,18)
InChIKeyLDCLQVCWQVUCBM-UHFFFAOYSA-N
XLogP-0.60
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 103891023
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
3-[(2-acetamido-3-methylbutanoyl)amino]-3-methylbutanoic acid
CID 64672861
2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 79252016
4-[(2-acetamido-3-methylbutanoyl)amino]-4-methylpentanoic acid
CID 62041552
(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide
CID 103929829
N-[(3S)-2-methyl-4-oxohexan-3-yl]acetamide
CID 89131708
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

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylbutanamide (CID 114010724) is 2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylbutanamide is CCC(CO)(CO)NC(=O)C(NC(C)=O)C(C)C.
What is the InChIKey of 2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylbutanamide?
The InChIKey is LDCLQVCWQVUCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-12(6-15,7-16)14-11(18)10(8(2)3)13-9(4)17/h8,10,15-16H,5-7H2,1-4H3,(H,13,17)(H,14,18).
What are the key properties of 2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylbutanamide?
2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylbutanamide has a molecular weight of 260.33 g/mol, XLogP of -0.60, 7 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]-3-methylbutanamide is sourced from PubChem (CID 114010724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).