2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid

C12H19NO5S — CID 119213913

IUPAC2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid
SMILESO=C(CS(=O)(=O)C1CCCC1)NC(C(=O)O)C1CC1
InChIInChI=1S/C12H19NO5S/c14-10(13-11(12(15)16)8-5-6-8)7-19(17,18)9-3-1-2-4-9/h8-9,11H,1-7H2,(H,13,14)(H,15,16)
InChIKeyIXDOWOLVLSBYJL-UHFFFAOYSA-N
MW289.35 g/mol
LogP0.32
Rot. Bonds6

About 2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid

2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid (PubChem CID 119213913) has the molecular formula C12H19NO5S and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid
PubChem CID119213913
Molecular FormulaC12H19NO5S
Molecular Weight289.35 g/mol
Exact Mass289.10
IUPAC Name2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid
SMILESO=C(CS(=O)(=O)C1CCCC1)NC(C(=O)O)C1CC1
InChIInChI=1S/C12H19NO5S/c14-10(13-11(12(15)16)8-5-6-8)7-19(17,18)9-3-1-2-4-9/h8-9,11H,1-7H2,(H,13,14)(H,15,16)
InChIKeyIXDOWOLVLSBYJL-UHFFFAOYSA-N
XLogP0.32
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-cyclopentylsulfonylacetyl)amino]butanoic acid
CID 119224037
(2R)-2-[(2-cyclopentylsulfonylacetyl)amino]-3-methylbutanoic acid
CID 119369506
3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid
CID 119237505
5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid
CID 122056704
2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid
CID 62696018
2-(butanoylamino)-2-cyclopropylacetic acid
CID 62694942
2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid
CID 112744946
2-cyclohexyl-2-[(2-piperidin-4-ylacetyl)amino]acetic acid
CID 61159791
2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid
CID 62696024
2-cyclopentylsulfonyl-N-[(1R)-1-(3,5-dimethylphenyl)ethyl]acetamide
CID 95338225
2-[1-[(2-cyclopentylsulfonylacetyl)amino]cyclobutyl]acetic acid
CID 119217995
2-cyclohexyl-2-[[2-(1-methoxycyclobutyl)acetyl]amino]acetic acid
CID 103555560

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid (CID 119213913) is 2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid is O=C(CS(=O)(=O)C1CCCC1)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid?
The InChIKey is IXDOWOLVLSBYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5S/c14-10(13-11(12(15)16)8-5-6-8)7-19(17,18)9-3-1-2-4-9/h8-9,11H,1-7H2,(H,13,14)(H,15,16).
What are the key properties of 2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid?
2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid has a molecular weight of 289.35 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 119213913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).