3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide

C9H20N2O2 — CID 79249380

IUPAC3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide
SMILESCC(N)CC(=O)NC(CO)C(C)C
InChIInChI=1S/C9H20N2O2/c1-6(2)8(5-12)11-9(13)4-7(3)10/h6-8,12H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyQPGSERWCQJGFCC-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.14
Rot. Bonds5

About 3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide

3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide (PubChem CID 79249380) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide.

Molecular Properties

Compound Name3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide
PubChem CID79249380
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide
SMILESCC(N)CC(=O)NC(CO)C(C)C
InChIInChI=1S/C9H20N2O2/c1-6(2)8(5-12)11-9(13)4-7(3)10/h6-8,12H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyQPGSERWCQJGFCC-UHFFFAOYSA-N
XLogP-0.14
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 74554703
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide
CID 103156180
2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79249423
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
CID 79250532
3-(3-aminobutanoylamino)butanoic acid
CID 61160048
3-amino-N-[(2S)-butan-2-yl]butanamide
CID 142118681
(2S)-2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 79250278
7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79250170
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
CID 39086818
2-(2-aminoethoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79479783
N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide
CID 79252546
2-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 79252136

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide?
The IUPAC name of 3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide (CID 79249380) is 3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide.
What is the SMILES notation for 3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide?
The canonical SMILES for 3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide is CC(N)CC(=O)NC(CO)C(C)C.
What is the InChIKey of 3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide?
The InChIKey is QPGSERWCQJGFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-6(2)8(5-12)11-9(13)4-7(3)10/h6-8,12H,4-5,10H2,1-3H3,(H,11,13).
What are the key properties of 3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide?
3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide has a molecular weight of 188.27 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide is sourced from PubChem (CID 79249380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).