1-(1-cyclopropylpropyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid

C15H26N2O4 — CID 112544082

IUPAC1-(1-cyclopropylpropyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
SMILESCCOC(=O)NC1CC(C(=O)O)CN(C(CC)C2CC2)C1
InChIInChI=1S/C15H26N2O4/c1-3-13(10-5-6-10)17-8-11(14(18)19)7-12(9-17)16-15(20)21-4-2/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyMMBBTLQOWVLBFP-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.70
Rot. Bonds6

About 1-(1-cyclopropylpropyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid

1-(1-cyclopropylpropyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid (PubChem CID 112544082) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(1-cyclopropylpropyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopropylpropyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
PubChem CID112544082
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(1-cyclopropylpropyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
SMILESCCOC(=O)NC1CC(C(=O)O)CN(C(CC)C2CC2)C1
InChIInChI=1S/C15H26N2O4/c1-3-13(10-5-6-10)17-8-11(14(18)19)7-12(9-17)16-15(20)21-4-2/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyMMBBTLQOWVLBFP-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopropylpropyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
CID 112543441
1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112544111
1-(cyanomethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112544166
ethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112543950
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylpiperidine-3-carboxylic acid
CID 112544400
ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate
CID 112544052
ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 112543799
ethyl N-(thian-4-yl)carbamate
CID 115599837
ethyl N-(1-methylpyrrolidin-3-yl)carbamate
CID 61355543
ethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112543725
ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544049
ethyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653652

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpropyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1-cyclopropylpropyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid (CID 112544082) is 1-(1-cyclopropylpropyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopropylpropyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-cyclopropylpropyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid is CCOC(=O)NC1CC(C(=O)O)CN(C(CC)C2CC2)C1.
What is the InChIKey of 1-(1-cyclopropylpropyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid?
The InChIKey is MMBBTLQOWVLBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-13(10-5-6-10)17-8-11(14(18)19)7-12(9-17)16-15(20)21-4-2/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-(1-cyclopropylpropyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid?
1-(1-cyclopropylpropyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpropyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 112544082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).