2-[cyclopropylmethyl-(2,2-dimethyloxan-4-yl)amino]acetic acid

C13H23NO3 — CID 65054656

IUPAC2-[cyclopropylmethyl-(2,2-dimethyloxan-4-yl)amino]acetic acid
SMILESCC1(C)CC(N(CC(=O)O)CC2CC2)CCO1
InChIInChI=1S/C13H23NO3/c1-13(2)7-11(5-6-17-13)14(9-12(15)16)8-10-3-4-10/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyDYFWDBWHCZKCKQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.74
Rot. Bonds5

About 2-[cyclopropylmethyl-(2,2-dimethyloxan-4-yl)amino]acetic acid

2-[cyclopropylmethyl-(2,2-dimethyloxan-4-yl)amino]acetic acid (PubChem CID 65054656) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(2,2-dimethyloxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(2,2-dimethyloxan-4-yl)amino]acetic acid
PubChem CID65054656
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[cyclopropylmethyl-(2,2-dimethyloxan-4-yl)amino]acetic acid
SMILESCC1(C)CC(N(CC(=O)O)CC2CC2)CCO1
InChIInChI=1S/C13H23NO3/c1-13(2)7-11(5-6-17-13)14(9-12(15)16)8-10-3-4-10/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyDYFWDBWHCZKCKQ-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
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-[(2,2-dimethyloxan-4-yl)-methylamino]acetic acid
CID 65056592
2-[cyclopropylmethyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894349
2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid
CID 103961392
2-[cyclopropylmethyl-(2-methyloxan-4-yl)amino]acetic acid
CID 65054609
2-[cyclopropylmethyl-(3,3,5-trimethylcyclohexyl)amino]acetic acid
CID 65054464
2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79893758
2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid
CID 103565060
2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 79894522
2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid
CID 64728458
1-[cyclopropyl(cyclopropylmethyl)amino]propan-2-one
CID 64522765
2-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]acetic acid
CID 79894049

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(2,2-dimethyloxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(2,2-dimethyloxan-4-yl)amino]acetic acid (CID 65054656) is 2-[cyclopropylmethyl-(2,2-dimethyloxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(2,2-dimethyloxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(2,2-dimethyloxan-4-yl)amino]acetic acid is CC1(C)CC(N(CC(=O)O)CC2CC2)CCO1.
What is the InChIKey of 2-[cyclopropylmethyl-(2,2-dimethyloxan-4-yl)amino]acetic acid?
The InChIKey is DYFWDBWHCZKCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(2)7-11(5-6-17-13)14(9-12(15)16)8-10-3-4-10/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[cyclopropylmethyl-(2,2-dimethyloxan-4-yl)amino]acetic acid?
2-[cyclopropylmethyl-(2,2-dimethyloxan-4-yl)amino]acetic acid has a molecular weight of 241.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(2,2-dimethyloxan-4-yl)amino]acetic acid is sourced from PubChem (CID 65054656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).