1-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C14H23NO5S — CID 43399750

IUPAC1-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCN(C(=O)CC1(C(=O)O)CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H23NO5S/c1-2-15(11-5-8-21(19,20)10-11)12(16)9-14(13(17)18)6-3-4-7-14/h11H,2-10H2,1H3,(H,17,18)
InChIKeyMDHBMONBGQXFDS-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.06
Rot. Bonds5

About 1-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 43399750) has the molecular formula C14H23NO5S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID43399750
Molecular FormulaC14H23NO5S
Molecular Weight317.41 g/mol
Exact Mass317.13
IUPAC Name1-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCN(C(=O)CC1(C(=O)O)CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H23NO5S/c1-2-15(11-5-8-21(19,20)10-11)12(16)9-14(13(17)18)6-3-4-7-14/h11H,2-10H2,1H3,(H,17,18)
InChIKeyMDHBMONBGQXFDS-UHFFFAOYSA-N
XLogP1.06
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 43399750) is 1-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is CCN(C(=O)CC1(C(=O)O)CCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is MDHBMONBGQXFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5S/c1-2-15(11-5-8-21(19,20)10-11)12(16)9-14(13(17)18)6-3-4-7-14/h11H,2-10H2,1H3,(H,17,18).
What are the key properties of 1-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 317.41 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43399750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).