1-[2-[[(1R,2R)-2-ethoxycyclopropanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid

C15H24N2O5 — CID 129467272

IUPAC1-[2-[[(1R,2R)-2-ethoxycyclopropanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCCO[C@@H]1C[C@H]1C(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H24N2O5/c1-3-22-12-8-11(12)14(19)16(2)9-13(18)17-6-4-10(5-7-17)15(20)21/h10-12H,3-9H2,1-2H3,(H,20,21)/t11-,12-/m1/s1
InChIKeyGVZRKDAQXXQHKZ-VXGBXAGGSA-N
MW312.37 g/mol
LogP0.19
Rot. Bonds6

About 1-[2-[[(1R,2R)-2-ethoxycyclopropanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid

1-[2-[[(1R,2R)-2-ethoxycyclopropanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid (PubChem CID 129467272) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[2-[[(1R,2R)-2-ethoxycyclopropanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[(1R,2R)-2-ethoxycyclopropanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid
PubChem CID129467272
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name1-[2-[[(1R,2R)-2-ethoxycyclopropanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCCO[C@@H]1C[C@H]1C(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H24N2O5/c1-3-22-12-8-11(12)14(19)16(2)9-13(18)17-6-4-10(5-7-17)15(20)21/h10-12H,3-9H2,1-2H3,(H,20,21)/t11-,12-/m1/s1
InChIKeyGVZRKDAQXXQHKZ-VXGBXAGGSA-N
XLogP0.19
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[(1R,2R)-2-ethoxycyclopropanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

1-[(1R,2S)-2-ethoxycyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 129414775
1-[2-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236385
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 60948599
1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236201
1-[2-[4-cyclopentylbutanoyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236283
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437
1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 62658956
1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
CID 55100622
ethyl 1-[2-[methyl-[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate
CID 120635242
1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid
CID 103189745
1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 43354178
1-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 156620036

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1R,2R)-2-ethoxycyclopropanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[[(1R,2R)-2-ethoxycyclopropanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid (CID 129467272) is 1-[2-[[(1R,2R)-2-ethoxycyclopropanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[(1R,2R)-2-ethoxycyclopropanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[[(1R,2R)-2-ethoxycyclopropanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid is CCO[C@@H]1C[C@H]1C(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[[(1R,2R)-2-ethoxycyclopropanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is GVZRKDAQXXQHKZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-3-22-12-8-11(12)14(19)16(2)9-13(18)17-6-4-10(5-7-17)15(20)21/h10-12H,3-9H2,1-2H3,(H,20,21)/t11-,12-/m1/s1.
What are the key properties of 1-[2-[[(1R,2R)-2-ethoxycyclopropanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid?
1-[2-[[(1R,2R)-2-ethoxycyclopropanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1R,2R)-2-ethoxycyclopropanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 129467272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).