2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-methoxypropanamide

C9H18N2O4S — CID 81100896

IUPAC2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCC1CCCS1(=O)=O
InChIInChI=1S/C9H18N2O4S/c1-15-6-8(10)9(12)11-5-7-3-2-4-16(7,13)14/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyDGRZVGIAOSQRKS-UHFFFAOYSA-N
MW250.32 g/mol
LogP-1.35
Rot. Bonds5

About 2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-methoxypropanamide

2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-methoxypropanamide (PubChem CID 81100896) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-methoxypropanamide
PubChem CID81100896
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCC1CCCS1(=O)=O
InChIInChI=1S/C9H18N2O4S/c1-15-6-8(10)9(12)11-5-7-3-2-4-16(7,13)14/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyDGRZVGIAOSQRKS-UHFFFAOYSA-N
XLogP-1.35
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]butanamide
CID 81039235
2-amino-N-(cyclobutylmethyl)-3-methoxypropanamide
CID 81080963
(2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,3-dimethylbutanamide
CID 103930251
ethyl N-[(1,1-dioxothiolan-2-yl)methyl]carbamate
CID 81046471
2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride
CID 120987252
4-[[(2-amino-3-methoxypropanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 81101967
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992412
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methoxypropanamide
CID 120992413
N-[(1,1-dioxothiolan-2-yl)methyl]-2-sulfanylacetamide
CID 81046326
2-amino-N-cyclooctyl-3-methoxypropanamide
CID 81082114
2-amino-3-methoxy-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide;hydrochloride
CID 120992063
2-amino-N-(2-cyclohexyl-2-hydroxyethyl)-3-methoxypropanamide
CID 120988887

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-methoxypropanamide (CID 81100896) is 2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-methoxypropanamide is COCC(N)C(=O)NCC1CCCS1(=O)=O.
What is the InChIKey of 2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-methoxypropanamide?
The InChIKey is DGRZVGIAOSQRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-15-6-8(10)9(12)11-5-7-3-2-4-16(7,13)14/h7-8H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-methoxypropanamide?
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-methoxypropanamide has a molecular weight of 250.32 g/mol, XLogP of -1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-methoxypropanamide is sourced from PubChem (CID 81100896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).