2-[1-[2-[2-(dimethylamino)ethylcarbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid

C14H25N3O4 — CID 61069308

IUPAC2-[1-[2-[2-(dimethylamino)ethylcarbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCN(C)CCNC(=O)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H25N3O4/c1-17(2)8-7-15-13(21)16-11(18)9-14(10-12(19)20)5-3-4-6-14/h3-10H2,1-2H3,(H,19,20)(H2,15,16,18,21)
InChIKeySOGVOIIDJSDXMV-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.80
Rot. Bonds7

About 2-[1-[2-[2-(dimethylamino)ethylcarbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[2-(dimethylamino)ethylcarbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61069308) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[1-[2-[2-(dimethylamino)ethylcarbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[2-(dimethylamino)ethylcarbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61069308
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[1-[2-[2-(dimethylamino)ethylcarbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCN(C)CCNC(=O)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H25N3O4/c1-17(2)8-7-15-13(21)16-11(18)9-14(10-12(19)20)5-3-4-6-14/h3-10H2,1-2H3,(H,19,20)(H2,15,16,18,21)
InChIKeySOGVOIIDJSDXMV-UHFFFAOYSA-N
XLogP0.80
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-(dimethylamino)ethylcarbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[2-(dimethylamino)ethylcarbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid (CID 61069308) is 2-[1-[2-[2-(dimethylamino)ethylcarbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[2-(dimethylamino)ethylcarbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[2-(dimethylamino)ethylcarbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid is CN(C)CCNC(=O)NC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[2-(dimethylamino)ethylcarbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is SOGVOIIDJSDXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-17(2)8-7-15-13(21)16-11(18)9-14(10-12(19)20)5-3-4-6-14/h3-10H2,1-2H3,(H,19,20)(H2,15,16,18,21).
What are the key properties of 2-[1-[2-[2-(dimethylamino)ethylcarbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[2-(dimethylamino)ethylcarbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-(dimethylamino)ethylcarbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61069308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).