2-[cyclopentyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid

C15H27NO3 — CID 65058256

IUPAC2-[cyclopentyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid
SMILESCCC1(C)CC(N(CC(=O)O)C2CCCC2)CCO1
InChIInChI=1S/C15H27NO3/c1-3-15(2)10-13(8-9-19-15)16(11-14(17)18)12-6-4-5-7-12/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyBGYWKVUEXFCPEX-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.66
Rot. Bonds5

About 2-[cyclopentyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid

2-[cyclopentyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid (PubChem CID 65058256) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[cyclopentyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid
PubChem CID65058256
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[cyclopentyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid
SMILESCCC1(C)CC(N(CC(=O)O)C2CCCC2)CCO1
InChIInChI=1S/C15H27NO3/c1-3-15(2)10-13(8-9-19-15)16(11-14(17)18)12-6-4-5-7-12/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyBGYWKVUEXFCPEX-UHFFFAOYSA-N
XLogP2.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid (CID 65058256) is 2-[cyclopentyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid is CCC1(C)CC(N(CC(=O)O)C2CCCC2)CCO1.
What is the InChIKey of 2-[cyclopentyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid?
The InChIKey is BGYWKVUEXFCPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-15(2)10-13(8-9-19-15)16(11-14(17)18)12-6-4-5-7-12/h12-13H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 2-[cyclopentyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid?
2-[cyclopentyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid has a molecular weight of 269.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid is sourced from PubChem (CID 65058256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).