(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)propanamide

C7H14N2O3S — CID 78972072

IUPAC(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESC[C@@H](N)C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C7H14N2O3S/c1-5(8)7(10)9-6-2-3-13(11,12)4-6/h5-6H,2-4,8H2,1H3,(H,9,10)/t5-,6?/m1/s1
InChIKeyWZROLUKPSZECPL-LWOQYNTDSA-N
MW206.27 g/mol
LogP-1.36
Rot. Bonds2

About (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)propanamide

(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)propanamide (PubChem CID 78972072) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)propanamide
PubChem CID78972072
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESC[C@@H](N)C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C7H14N2O3S/c1-5(8)7(10)9-6-2-3-13(11,12)4-6/h5-6H,2-4,8H2,1H3,(H,9,10)/t5-,6?/m1/s1
InChIKeyWZROLUKPSZECPL-LWOQYNTDSA-N
XLogP-1.36
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1,1-dioxothiolan-3-yl)-3-methylbutanamide
CID 24698207
N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7114858
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
N-(1,1-dioxothiolan-3-yl)-2-ethylsulfanylpropanamide
CID 47135984
N-(3-methylbut-1-en-2-yl)-1,1-dioxothiolan-3-amine
CID 170117431
methyl N-(1,1-dioxothiolan-3-yl)carbamate
CID 2999519
(2S)-2-amino-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide
CID 51892168
N-cyclopropyl-2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-3-methylbutanamide
CID 74661754
N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)oxamide
CID 108526860
N-(1,1-dioxothiolan-3-yl)carbamoyl iodide
CID 126633838
3-[(3R)-1,1-dioxothiolan-3-yl]-1,1-dimethylurea
CID 7361259

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)propanamide?
The IUPAC name of (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)propanamide (CID 78972072) is (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)propanamide is C[C@@H](N)C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)propanamide?
The InChIKey is WZROLUKPSZECPL-LWOQYNTDSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-5(8)7(10)9-6-2-3-13(11,12)4-6/h5-6H,2-4,8H2,1H3,(H,9,10)/t5-,6?/m1/s1.
What are the key properties of (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)propanamide?
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)propanamide has a molecular weight of 206.27 g/mol, XLogP of -1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1,1-dioxothiolan-3-yl)propanamide is sourced from PubChem (CID 78972072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).