4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide

C8H18N2O2 — CID 107221139

IUPAC4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide
SMILESCC(CCN)C(=O)NC[C@H](C)O
InChIInChI=1S/C8H18N2O2/c1-6(3-4-9)8(12)10-5-7(2)11/h6-7,11H,3-5,9H2,1-2H3,(H,10,12)/t6?,7-/m0/s1
InChIKeySLXZOBDGYNTWRP-MLWJPKLSSA-N
MW174.24 g/mol
LogP-0.53
Rot. Bonds5

About 4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide

4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide (PubChem CID 107221139) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide
PubChem CID107221139
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide
SMILESCC(CCN)C(=O)NC[C@H](C)O
InChIInChI=1S/C8H18N2O2/c1-6(3-4-9)8(12)10-5-7(2)11/h6-7,11H,3-5,9H2,1-2H3,(H,10,12)/t6?,7-/m0/s1
InChIKeySLXZOBDGYNTWRP-MLWJPKLSSA-N
XLogP-0.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2,3-dimethylbutyl)-2-methylbutanamide
CID 80544787
4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide
CID 80544789
4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide
CID 80541244
(2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid
CID 107835763
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-2-methyl-N-(4,4,4-trifluorobutyl)butanamide
CID 115519191
N-[(2S)-2-hydroxypropyl]-2-propylpentanamide
CID 10058650
4-amino-2-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 80543906
7-[(4-amino-2-methylbutanoyl)amino]heptanoic acid
CID 80543842
4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbutanamide
CID 115454930

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide?
The IUPAC name of 4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide (CID 107221139) is 4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide?
The canonical SMILES for 4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide is CC(CCN)C(=O)NC[C@H](C)O.
What is the InChIKey of 4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide?
The InChIKey is SLXZOBDGYNTWRP-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(3-4-9)8(12)10-5-7(2)11/h6-7,11H,3-5,9H2,1-2H3,(H,10,12)/t6?,7-/m0/s1.
What are the key properties of 4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide?
4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide has a molecular weight of 174.24 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide is sourced from PubChem (CID 107221139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).