3-[(2-morpholin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid

C12H20N2O4 — CID 66426425

IUPAC3-[(2-morpholin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(CC1CNCCO1)NC1CCC(C(=O)O)C1
InChIInChI=1S/C12H20N2O4/c15-11(6-10-7-13-3-4-18-10)14-9-2-1-8(5-9)12(16)17/h8-10,13H,1-7H2,(H,14,15)(H,16,17)
InChIKeyRSMCTNMFEGHOBL-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.27
Rot. Bonds4

About 3-[(2-morpholin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid

3-[(2-morpholin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66426425) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-[(2-morpholin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-morpholin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66426425
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-[(2-morpholin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(CC1CNCCO1)NC1CCC(C(=O)O)C1
InChIInChI=1S/C12H20N2O4/c15-11(6-10-7-13-3-4-18-10)14-9-2-1-8(5-9)12(16)17/h8-10,13H,1-7H2,(H,14,15)(H,16,17)
InChIKeyRSMCTNMFEGHOBL-UHFFFAOYSA-N
XLogP-0.27
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-morpholin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-morpholin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid (CID 66426425) is 3-[(2-morpholin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-morpholin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-morpholin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid is O=C(CC1CNCCO1)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(2-morpholin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is RSMCTNMFEGHOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-11(6-10-7-13-3-4-18-10)14-9-2-1-8(5-9)12(16)17/h8-10,13H,1-7H2,(H,14,15)(H,16,17).
What are the key properties of 3-[(2-morpholin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid?
3-[(2-morpholin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-morpholin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66426425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).