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

C15H26N2O4 — CID 112544111

IUPAC1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
SMILESCCOC(=O)NC1CC(C(=O)O)CN(CC2CCCC2)C1
InChIInChI=1S/C15H26N2O4/c1-2-21-15(20)16-13-7-12(14(18)19)9-17(10-13)8-11-5-3-4-6-11/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyPMEULNSPHSJBMA-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.70
Rot. Bonds5

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

1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid (PubChem CID 112544111) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
PubChem CID112544111
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
SMILESCCOC(=O)NC1CC(C(=O)O)CN(CC2CCCC2)C1
InChIInChI=1S/C15H26N2O4/c1-2-21-15(20)16-13-7-12(14(18)19)9-17(10-13)8-11-5-3-4-6-11/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyPMEULNSPHSJBMA-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

methyl 1-(cyclobutylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylate
CID 112544101
ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544049
5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid
CID 83998065
1-(cyanomethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112544166
ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate
CID 112544052
methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate
CID 112543460
ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544061
benzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545097
1-(1-cyclopropylpropyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112544082
2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 112544134
benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545085
1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
CID 112543589

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid (CID 112544111) is 1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid is CCOC(=O)NC1CC(C(=O)O)CN(CC2CCCC2)C1.
What is the InChIKey of 1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid?
The InChIKey is PMEULNSPHSJBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-21-15(20)16-13-7-12(14(18)19)9-17(10-13)8-11-5-3-4-6-11/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid?
1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 112544111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).