1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid

C15H24N2O5 — CID 122013092

IUPAC1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCCOC(=O)[C@@H]1CC[C@H](NC(=O)N2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C15H24N2O5/c1-2-22-14(20)11-3-4-12(9-11)16-15(21)17-7-5-10(6-8-17)13(18)19/h10-12H,2-9H2,1H3,(H,16,21)(H,18,19)/t11-,12+/m1/s1
InChIKeyRMGFFTFXYKDTNM-NEPJUHHUSA-N
MW312.37 g/mol
LogP1.22
Rot. Bonds4

About 1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid

1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122013092) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122013092
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCCOC(=O)[C@@H]1CC[C@H](NC(=O)N2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C15H24N2O5/c1-2-22-14(20)11-3-4-12(9-11)16-15(21)17-7-5-10(6-8-17)13(18)19/h10-12H,2-9H2,1H3,(H,16,21)(H,18,19)/t11-,12+/m1/s1
InChIKeyRMGFFTFXYKDTNM-NEPJUHHUSA-N
XLogP1.22
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032207
4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61193762
3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549697
cis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114173620
3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032810
ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
ethyl 1-(cyclopropylcarbamothioyl)piperidine-4-carboxylate
CID 2033229
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylcarbamoyl)piperidine-4-carboxylic acid
CID 122003861
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid
CID 167464338
1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172515768

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid (CID 122013092) is 1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid is CCOC(=O)[C@@H]1CC[C@H](NC(=O)N2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is RMGFFTFXYKDTNM-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-2-22-14(20)11-3-4-12(9-11)16-15(21)17-7-5-10(6-8-17)13(18)19/h10-12H,2-9H2,1H3,(H,16,21)(H,18,19)/t11-,12+/m1/s1.
What are the key properties of 1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122013092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).