4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide

C9H20N2O2 — CID 80544789

IUPAC4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide
SMILESCC(CO)CNC(=O)C(C)CCN
InChIInChI=1S/C9H20N2O2/c1-7(6-12)5-11-9(13)8(2)3-4-10/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)
InChIKeySIDBPNSSRUSVHK-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.28
Rot. Bonds6

About 4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide

4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide (PubChem CID 80544789) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide
PubChem CID80544789
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide
SMILESCC(CO)CNC(=O)C(C)CCN
InChIInChI=1S/C9H20N2O2/c1-7(6-12)5-11-9(13)8(2)3-4-10/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)
InChIKeySIDBPNSSRUSVHK-UHFFFAOYSA-N
XLogP-0.28
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide
CID 107221139
4-amino-N-(2,3-dimethylbutyl)-2-methylbutanamide
CID 80544787
4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide
CID 80541244
2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 65036026
4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide
CID 65035783
N-(3-hydroxy-2-methylpropyl)-2-methoxypropanamide
CID 115701678
N-(3-amino-2-methylpropyl)-2-methylbutanamide
CID 62666098
4-amino-2-methyl-N-propan-2-ylbutanamide
CID 80541541
4-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 80543957
4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbutanamide
CID 115454930
4-amino-2-methylbutanoic acid
CID 3759025

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide?
The IUPAC name of 4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide (CID 80544789) is 4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide?
The canonical SMILES for 4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide is CC(CO)CNC(=O)C(C)CCN.
What is the InChIKey of 4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide?
The InChIKey is SIDBPNSSRUSVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(6-12)5-11-9(13)8(2)3-4-10/h7-8,12H,3-6,10H2,1-2H3,(H,11,13).
What are the key properties of 4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide?
4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide has a molecular weight of 188.27 g/mol, XLogP of -0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide is sourced from PubChem (CID 80544789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).