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

C13H23NO3 — CID 65057470

IUPAC2-[cyclopropyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid
SMILESCCC1(C)CC(N(CC(=O)O)C2CC2)CCO1
InChIInChI=1S/C13H23NO3/c1-3-13(2)8-11(6-7-17-13)14(9-12(15)16)10-4-5-10/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyUICAVVLEGIUPNJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.88
Rot. Bonds5

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

2-[cyclopropyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid (PubChem CID 65057470) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[cyclopropyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid
PubChem CID65057470
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[cyclopropyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid
SMILESCCC1(C)CC(N(CC(=O)O)C2CC2)CCO1
InChIInChI=1S/C13H23NO3/c1-3-13(2)8-11(6-7-17-13)14(9-12(15)16)10-4-5-10/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyUICAVVLEGIUPNJ-UHFFFAOYSA-N
XLogP1.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2-Dimethyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266437
2-[(2-Ethyl-2-methyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266719
2-[5-Oxaspiro[3.5]nonan-8-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79899088
2-[1-Oxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79902480
2-[6-Oxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79902935
Tert-butyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]acetate
CID 60346232
2-[(2-Ethyl-2-methyloxan-4-yl)amino]acetic acid
CID 64100398
2-[(2-Ethyl-2-methyloxan-4-yl)amino]propanoic acid
CID 64101043
1-(2-Ethyl-2-methyloxan-4-yl)piperidine-2-carboxylic acid
CID 65054027
2-[Cyclopropylmethyl-(2-ethyloxan-4-yl)amino]acetic acid
CID 65054552
2-[Cyclopropylmethyl-(2-propyloxan-4-yl)amino]acetic acid
CID 65054611
2-[Cyclopropylmethyl-(2,2-dimethyloxan-4-yl)amino]acetic acid
CID 65054656

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid (CID 65057470) is 2-[cyclopropyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid is CCC1(C)CC(N(CC(=O)O)C2CC2)CCO1.
What is the InChIKey of 2-[cyclopropyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid?
The InChIKey is UICAVVLEGIUPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-13(2)8-11(6-7-17-13)14(9-12(15)16)10-4-5-10/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[cyclopropyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid?
2-[cyclopropyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid has a molecular weight of 241.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid is sourced from PubChem (CID 65057470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).