1-[2-[(3-methoxy-3-oxopropyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C12H19NO5 — CID 43222525

IUPAC1-[2-[(3-methoxy-3-oxopropyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCOC(=O)CCNC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C12H19NO5/c1-18-10(15)4-7-13-9(14)8-12(11(16)17)5-2-3-6-12/h2-8H2,1H3,(H,13,14)(H,16,17)
InChIKeyLXBLDUGLKYWIIS-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.70
Rot. Bonds6

About 1-[2-[(3-methoxy-3-oxopropyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(3-methoxy-3-oxopropyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 43222525) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[2-[(3-methoxy-3-oxopropyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3-methoxy-3-oxopropyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID43222525
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name1-[2-[(3-methoxy-3-oxopropyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCOC(=O)CCNC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C12H19NO5/c1-18-10(15)4-7-13-9(14)8-12(11(16)17)5-2-3-6-12/h2-8H2,1H3,(H,13,14)(H,16,17)
InChIKeyLXBLDUGLKYWIIS-UHFFFAOYSA-N
XLogP0.70
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methoxy-3-oxopropyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(3-methoxy-3-oxopropyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 43222525) is 1-[2-[(3-methoxy-3-oxopropyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(3-methoxy-3-oxopropyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(3-methoxy-3-oxopropyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is COC(=O)CCNC(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-[(3-methoxy-3-oxopropyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is LXBLDUGLKYWIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-18-10(15)4-7-13-9(14)8-12(11(16)17)5-2-3-6-12/h2-8H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 1-[2-[(3-methoxy-3-oxopropyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(3-methoxy-3-oxopropyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methoxy-3-oxopropyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43222525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).