(2R)-2-amino-3-methyl-N-(1-oxothiolan-3-yl)butanamide

C9H18N2O2S — CID 131065515

IUPAC(2R)-2-amino-3-methyl-N-(1-oxothiolan-3-yl)butanamide
SMILESCC(C)[C@@H](N)C(=O)NC1CCS(=O)C1
InChIInChI=1S/C9H18N2O2S/c1-6(2)8(10)9(12)11-7-3-4-14(13)5-7/h6-8H,3-5,10H2,1-2H3,(H,11,12)/t7?,8-,14?/m1/s1
InChIKeyBUWRZOBHBNSLLH-ZLJRZNNWSA-N
MW218.32 g/mol
LogP-0.39
Rot. Bonds3

About (2R)-2-amino-3-methyl-N-(1-oxothiolan-3-yl)butanamide

(2R)-2-amino-3-methyl-N-(1-oxothiolan-3-yl)butanamide (PubChem CID 131065515) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-(1-oxothiolan-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-(1-oxothiolan-3-yl)butanamide
PubChem CID131065515
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name(2R)-2-amino-3-methyl-N-(1-oxothiolan-3-yl)butanamide
SMILESCC(C)[C@@H](N)C(=O)NC1CCS(=O)C1
InChIInChI=1S/C9H18N2O2S/c1-6(2)8(10)9(12)11-7-3-4-14(13)5-7/h6-8H,3-5,10H2,1-2H3,(H,11,12)/t7?,8-,14?/m1/s1
InChIKeyBUWRZOBHBNSLLH-ZLJRZNNWSA-N
XLogP-0.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(2-oxothiolan-3-yl)butanamide
CID 2938038
(2s)-2-(Acetylamino)-N-Methyl-4-[(R)-Methylsulfinyl]butanamide
CID 44228992
(S)-N-((S)-1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-mercaptoacetamido)-4-(methylthio)butanamide
CID 46882205
(2s)-2-(Acetylamino)-N-Methyl-4-[(S)-Methylsulfinyl]butanamide
CID 24178118
N-t-butyl-3-methyl-2-(2-oxo-tetrahydro-thiophen-3-ylamino)-butyramide
CID 59159381
S-Valyl-N-acetylcysteamin
CID 129888640
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-2-(ethylamino)acetamide
CID 3682000
3-(Piperazine-1-carbonyl)-1lambda6-thiolane-1,1-dione
CID 16227023
(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 174246046
3-methyl-N-(2-oxotetrahydro-3-thienyl)butanamide
CID 2904449
(2S)-2-acetamido-4-methylsulfinylbutanamide
CID 139213106
2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79805602

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-(1-oxothiolan-3-yl)butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-(1-oxothiolan-3-yl)butanamide (CID 131065515) is (2R)-2-amino-3-methyl-N-(1-oxothiolan-3-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-(1-oxothiolan-3-yl)butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-(1-oxothiolan-3-yl)butanamide is CC(C)[C@@H](N)C(=O)NC1CCS(=O)C1.
What is the InChIKey of (2R)-2-amino-3-methyl-N-(1-oxothiolan-3-yl)butanamide?
The InChIKey is BUWRZOBHBNSLLH-ZLJRZNNWSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-6(2)8(10)9(12)11-7-3-4-14(13)5-7/h6-8H,3-5,10H2,1-2H3,(H,11,12)/t7?,8-,14?/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-(1-oxothiolan-3-yl)butanamide?
(2R)-2-amino-3-methyl-N-(1-oxothiolan-3-yl)butanamide has a molecular weight of 218.32 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-(1-oxothiolan-3-yl)butanamide is sourced from PubChem (CID 131065515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).