2-cyclopropyl-2-(3-morpholin-4-ylsulfonylpropanoylamino)acetic acid

C12H20N2O6S — CID 62697248

IUPAC2-cyclopropyl-2-(3-morpholin-4-ylsulfonylpropanoylamino)acetic acid
SMILESO=C(CCS(=O)(=O)N1CCOCC1)NC(C(=O)O)C1CC1
InChIInChI=1S/C12H20N2O6S/c15-10(13-11(12(16)17)9-1-2-9)3-8-21(18,19)14-4-6-20-7-5-14/h9,11H,1-8H2,(H,13,15)(H,16,17)
InChIKeyATPPVYSYRRIVNF-UHFFFAOYSA-N
MW320.37 g/mol
LogP-0.98
Rot. Bonds7

About 2-cyclopropyl-2-(3-morpholin-4-ylsulfonylpropanoylamino)acetic acid

2-cyclopropyl-2-(3-morpholin-4-ylsulfonylpropanoylamino)acetic acid (PubChem CID 62697248) has the molecular formula C12H20N2O6S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3-morpholin-4-ylsulfonylpropanoylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(3-morpholin-4-ylsulfonylpropanoylamino)acetic acid
PubChem CID62697248
Molecular FormulaC12H20N2O6S
Molecular Weight320.37 g/mol
Exact Mass320.10
IUPAC Name2-cyclopropyl-2-(3-morpholin-4-ylsulfonylpropanoylamino)acetic acid
SMILESO=C(CCS(=O)(=O)N1CCOCC1)NC(C(=O)O)C1CC1
InChIInChI=1S/C12H20N2O6S/c15-10(13-11(12(16)17)9-1-2-9)3-8-21(18,19)14-4-6-20-7-5-14/h9,11H,1-8H2,(H,13,15)(H,16,17)
InChIKeyATPPVYSYRRIVNF-UHFFFAOYSA-N
XLogP-0.98
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 3-morpholin-4-ylsulfonylpropanoate
CID 112724899
3-morpholin-4-ylsulfonyl-N-phenylpropanamide
CID 60667161
2-(butanoylamino)-2-cyclopropylacetic acid
CID 62694942
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-morpholin-4-ylsulfonylpropanamide
CID 115455306
2-[2-(3-morpholin-4-ylsulfonylpropanoylamino)ethoxy]acetic acid
CID 79469301
N-(2,3-dihydroxy-2-methylpropyl)-3-morpholin-4-ylsulfonylpropanamide
CID 66169421
1-(3-hydroxypyrrolidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one
CID 62918616
2-cyclopropyl-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 119213875
2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid
CID 62696024
2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid
CID 62696021
(2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid
CID 42035723
2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid
CID 119213913

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3-morpholin-4-ylsulfonylpropanoylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(3-morpholin-4-ylsulfonylpropanoylamino)acetic acid (CID 62697248) is 2-cyclopropyl-2-(3-morpholin-4-ylsulfonylpropanoylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(3-morpholin-4-ylsulfonylpropanoylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(3-morpholin-4-ylsulfonylpropanoylamino)acetic acid is O=C(CCS(=O)(=O)N1CCOCC1)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(3-morpholin-4-ylsulfonylpropanoylamino)acetic acid?
The InChIKey is ATPPVYSYRRIVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6S/c15-10(13-11(12(16)17)9-1-2-9)3-8-21(18,19)14-4-6-20-7-5-14/h9,11H,1-8H2,(H,13,15)(H,16,17).
What are the key properties of 2-cyclopropyl-2-(3-morpholin-4-ylsulfonylpropanoylamino)acetic acid?
2-cyclopropyl-2-(3-morpholin-4-ylsulfonylpropanoylamino)acetic acid has a molecular weight of 320.37 g/mol, XLogP of -0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3-morpholin-4-ylsulfonylpropanoylamino)acetic acid is sourced from PubChem (CID 62697248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).