(3S)-1-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]piperidine-3-carboxylic acid

C14H22N2O5 — CID 81118602

IUPAC(3S)-1-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCOC(=O)CN(C(=O)N1CCC[C@H](C(=O)O)C1)C1CC1
InChIInChI=1S/C14H22N2O5/c1-2-21-12(17)9-16(11-5-6-11)14(20)15-7-3-4-10(8-15)13(18)19/h10-11H,2-9H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyHXSFCNFGWJXRCF-JTQLQIEISA-N
MW298.34 g/mol
LogP0.93
Rot. Bonds5

About (3S)-1-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]piperidine-3-carboxylic acid

(3S)-1-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81118602) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is (3S)-1-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81118602
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name(3S)-1-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCOC(=O)CN(C(=O)N1CCC[C@H](C(=O)O)C1)C1CC1
InChIInChI=1S/C14H22N2O5/c1-2-21-12(17)9-16(11-5-6-11)14(20)15-7-3-4-10(8-15)13(18)19/h10-11H,2-9H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyHXSFCNFGWJXRCF-JTQLQIEISA-N
XLogP0.93
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid
CID 81119933
(3S)-1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81126397
1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 43270721
(3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120598
1-(4-ethoxy-4-oxobutanoyl)piperidine-3-carboxylic acid
CID 43355863
(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445
(3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid
CID 103103373
ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate
CID 55150350
(3R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120227
1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid
CID 170458411
1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-3-carboxylic acid
CID 102865230
methyl 2-[cyclopentyl(piperidine-1-carbonyl)amino]acetate
CID 113330694

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]piperidine-3-carboxylic acid (CID 81118602) is (3S)-1-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]piperidine-3-carboxylic acid is CCOC(=O)CN(C(=O)N1CCC[C@H](C(=O)O)C1)C1CC1.
What is the InChIKey of (3S)-1-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is HXSFCNFGWJXRCF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N2O5/c1-2-21-12(17)9-16(11-5-6-11)14(20)15-7-3-4-10(8-15)13(18)19/h10-11H,2-9H2,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (3S)-1-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]piperidine-3-carboxylic acid?
(3S)-1-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81118602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).