3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid

C12H23NO3 — CID 63067576

IUPAC3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid
SMILESCCOC(CN(CC)C1CCCC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-3-13(10-7-5-6-8-10)9-11(12(14)15)16-4-2/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyNFWGQPMJJDDOKJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.74
Rot. Bonds7

About 3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid

3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid (PubChem CID 63067576) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid.

Molecular Properties

Compound Name3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid
PubChem CID63067576
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid
SMILESCCOC(CN(CC)C1CCCC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-3-13(10-7-5-6-8-10)9-11(12(14)15)16-4-2/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyNFWGQPMJJDDOKJ-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopentyl(methyl)amino]-2-ethoxypropanoic acid
CID 63067910
4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid
CID 63069124
4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid
CID 78924060
3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid
CID 63939336
2-acetamido-3-[cyclohexyl(ethyl)amino]propanoic acid
CID 64581122
3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid
CID 63067063
1-[cyclopentyl(ethyl)amino]butan-2-ol
CID 60886562
3-[butan-2-yl(ethyl)amino]-2-ethoxypropanoic acid
CID 63068258
2-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid
CID 63068079
(2R)-2-ethoxybutanedioic acid
CID 101245963
1-amino-3-[cyclopentyl(ethyl)amino]propan-2-ol
CID 43541005
tert-butyl 2-[cyclopentyl(ethyl)amino]acetate
CID 137320187

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid?
The IUPAC name of 3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid (CID 63067576) is 3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid.
What is the SMILES notation for 3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid?
The canonical SMILES for 3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid is CCOC(CN(CC)C1CCCC1)C(=O)O.
What is the InChIKey of 3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid?
The InChIKey is NFWGQPMJJDDOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-13(10-7-5-6-8-10)9-11(12(14)15)16-4-2/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid?
3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid is sourced from PubChem (CID 63067576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).