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

C12H20N2O5 — CID 64816735

IUPAC2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCOC(=O)CCN(C)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H20N2O5/c1-14(7-6-10(15)19-2)12(18)13-9-5-3-4-8(9)11(16)17/h8-9H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyMQAPEEFVEXJZJF-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.44
Rot. Bonds5

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

2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64816735) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64816735
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCOC(=O)CCN(C)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H20N2O5/c1-14(7-6-10(15)19-2)12(18)13-9-5-3-4-8(9)11(16)17/h8-9H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyMQAPEEFVEXJZJF-UHFFFAOYSA-N
XLogP0.44
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid (CID 64816735) is 2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid is COC(=O)CCN(C)C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is MQAPEEFVEXJZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-14(7-6-10(15)19-2)12(18)13-9-5-3-4-8(9)11(16)17/h8-9H,3-7H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64816735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).