(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide

C8H18N2O3 — CID 65440271

IUPAC(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(O)CO
InChIInChI=1S/C8H18N2O3/c1-5(2)7(9)8(13)10-3-6(12)4-11/h5-7,11-12H,3-4,9H2,1-2H3,(H,10,13)/t6?,7-/m0/s1
InChIKeyWYKHGMFDDZKSGF-MLWJPKLSSA-N
MW190.24 g/mol
LogP-1.56
Rot. Bonds5

About (2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide

(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide (PubChem CID 65440271) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide
PubChem CID65440271
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(O)CO
InChIInChI=1S/C8H18N2O3/c1-5(2)7(9)8(13)10-3-6(12)4-11/h5-7,11-12H,3-4,9H2,1-2H3,(H,10,13)/t6?,7-/m0/s1
InChIKeyWYKHGMFDDZKSGF-MLWJPKLSSA-N
XLogP-1.56
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 65036026
(2R)-2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methylbutanamide
CID 79012762
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
(2S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropanoic acid
CID 107835890
2-amino-N-(4-hydroxy-2-methylbutyl)-3-methylbutanamide
CID 66090902
N-(2,3-dihydroxypropyl)-2-methoxypropanamide
CID 115749574
2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid
CID 79011963
N-(2,3-dihydroxypropyl)-2-hydroxybutanamide
CID 90334941
(2S)-2-amino-3-methyl-N-(2-methylsulfinylpropyl)butanamide
CID 103950937
(2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
CID 79013022
(2S)-2-amino-N-(3-hydroxypentyl)-3-methylbutanamide
CID 103796232
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide (CID 65440271) is (2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCC(O)CO.
What is the InChIKey of (2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide?
The InChIKey is WYKHGMFDDZKSGF-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-5(2)7(9)8(13)10-3-6(12)4-11/h5-7,11-12H,3-4,9H2,1-2H3,(H,10,13)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide?
(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide has a molecular weight of 190.24 g/mol, XLogP of -1.56, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide is sourced from PubChem (CID 65440271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).