N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide

C11H19N3O4S — CID 95985225

IUPACN-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)N[C@H]1CC(=O)N(C2CC2)C1)S(C)(=O)=O
InChIInChI=1S/C11H19N3O4S/c1-13(19(2,17)18)7-10(15)12-8-5-11(16)14(6-8)9-3-4-9/h8-9H,3-7H2,1-2H3,(H,12,15)/t8-/m0/s1
InChIKeyOVWXTUQPNBPIIF-QMMMGPOBSA-N
MW289.36 g/mol
LogP-1.24
Rot. Bonds5

About N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide

N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 95985225) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID95985225
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC NameN-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)N[C@H]1CC(=O)N(C2CC2)C1)S(C)(=O)=O
InChIInChI=1S/C11H19N3O4S/c1-13(19(2,17)18)7-10(15)12-8-5-11(16)14(6-8)9-3-4-9/h8-9H,3-7H2,1-2H3,(H,12,15)/t8-/m0/s1
InChIKeyOVWXTUQPNBPIIF-QMMMGPOBSA-N
XLogP-1.24
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 95985167
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide
CID 110719693
3-amino-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide;hydrochloride
CID 119327016
2-(cyclopropylmethylamino)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)acetamide
CID 119789619
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methyl-3-(methylamino)propanamide
CID 119789623
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 26410011
1,1-dimethyl-3-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]urea
CID 167933678
cis-(1S,3R)-3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676181
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 95985209
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119789629
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-(2-methoxyphenyl)acetamide
CID 110719761
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
CID 95968751

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 95985225) is N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide is CN(CC(=O)N[C@H]1CC(=O)N(C2CC2)C1)S(C)(=O)=O.
What is the InChIKey of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is OVWXTUQPNBPIIF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-13(19(2,17)18)7-10(15)12-8-5-11(16)14(6-8)9-3-4-9/h8-9H,3-7H2,1-2H3,(H,12,15)/t8-/m0/s1.
What are the key properties of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 289.36 g/mol, XLogP of -1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 95985225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).