1-[[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid

C13H22N2O3 — CID 126431473

IUPAC1-[[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid
SMILESCC[C@@H]1CCCCN1CC(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c1-2-10-5-3-4-8-15(10)9-11(16)14-13(6-7-13)12(17)18/h10H,2-9H2,1H3,(H,14,16)(H,17,18)/t10-/m1/s1
InChIKeyGUVVVPBKKJZUDK-SNVBAGLBSA-N
MW254.33 g/mol
LogP0.98
Rot. Bonds5

About 1-[[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid

1-[[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 126431473) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid
PubChem CID126431473
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid
SMILESCC[C@@H]1CCCCN1CC(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c1-2-10-5-3-4-8-15(10)9-11(16)14-13(6-7-13)12(17)18/h10H,2-9H2,1H3,(H,14,16)(H,17,18)/t10-/m1/s1
InChIKeyGUVVVPBKKJZUDK-SNVBAGLBSA-N
XLogP0.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]cyclopropane-1-carboxylic acid
CID 121499450
2-(2-ethylpiperidin-1-yl)-N-methylacetamide
CID 130635124
2-(2-ethylpiperidin-1-yl)-N-(2-hydroxyethyl)acetamide
CID 43509674
1-cyclopentyl-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 104750099
1-[(2-ethylpyrrolidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 61208422
N-(tert-butylcarbamoyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 42999296
1-(2-ethylazepan-1-yl)butan-2-one
CID 104690718
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)acetamide
CID 78787228
4-(2-ethylazepan-1-yl)-3-methylbut-2-enoic acid
CID 104690512
2-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylpropanamide
CID 87012431
ethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate
CID 51697484
2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129380241

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid (CID 126431473) is 1-[[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid is CC[C@@H]1CCCCN1CC(=O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is GUVVVPBKKJZUDK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-10-5-3-4-8-15(10)9-11(16)14-13(6-7-13)12(17)18/h10H,2-9H2,1H3,(H,14,16)(H,17,18)/t10-/m1/s1.
What are the key properties of 1-[[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid?
1-[[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(2R)-2-ethylpiperidin-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 126431473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).