(2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]-3-methylbutanamide

C8H16N2O3 — CID 56637055

IUPAC(2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)N[C@H](C=O)CO
InChIInChI=1S/C8H16N2O3/c1-5(2)7(9)8(13)10-6(3-11)4-12/h3,5-7,12H,4,9H2,1-2H3,(H,10,13)/t6-,7+/m1/s1
InChIKeyGHAACIOICUZPOU-RQJHMYQMSA-N
MW188.23 g/mol
LogP-1.35
Rot. Bonds5

About (2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]-3-methylbutanamide

(2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]-3-methylbutanamide (PubChem CID 56637055) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]-3-methylbutanamide
PubChem CID56637055
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)N[C@H](C=O)CO
InChIInChI=1S/C8H16N2O3/c1-5(2)7(9)8(13)10-6(3-11)4-12/h3,5-7,12H,4,9H2,1-2H3,(H,10,13)/t6-,7+/m1/s1
InChIKeyGHAACIOICUZPOU-RQJHMYQMSA-N
XLogP-1.35
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-hydroxy-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]propanamide
CID 56620684
(2S)-2-amino-3-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]butanamide
CID 54091768
(2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 173121896
2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen
CID 145302166
methyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoate
CID 101237851
(2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide
CID 123756071
2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;ethane;molecular hydrogen;propane
CID 144975391
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide
CID 163042712
(2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide
CID 54434118
2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide
CID 22169553
(2S,3S)-2-amino-N-[(2S,3S)-3-hydroxy-1-[[2-[[(2S)-1-hydroxy-3-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]-3-methylpentanamide
CID 91385441
2-amino-N-formyl-3-methylbutanamide
CID 22035229

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]-3-methylbutanamide (CID 56637055) is (2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)N[C@H](C=O)CO.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]-3-methylbutanamide?
The InChIKey is GHAACIOICUZPOU-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(2)7(9)8(13)10-6(3-11)4-12/h3,5-7,12H,4,9H2,1-2H3,(H,10,13)/t6-,7+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]-3-methylbutanamide?
(2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]-3-methylbutanamide has a molecular weight of 188.23 g/mol, XLogP of -1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 56637055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).