4-[[2-(2-ethoxy-2-oxoethyl)-4-methoxypyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

C17H28N2O6 — CID 122023854

IUPAC4-[[2-(2-ethoxy-2-oxoethyl)-4-methoxypyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCCOC(=O)CC1CC(OC)CN1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C17H28N2O6/c1-3-25-15(20)9-13-8-14(24-2)10-19(13)17(23)18-12-6-4-11(5-7-12)16(21)22/h11-14H,3-10H2,1-2H3,(H,18,23)(H,21,22)
InChIKeySRRIWYFAQDKXRW-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.38
Rot. Bonds6

About 4-[[2-(2-ethoxy-2-oxoethyl)-4-methoxypyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(2-ethoxy-2-oxoethyl)-4-methoxypyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122023854) has the molecular formula C17H28N2O6 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-[[2-(2-ethoxy-2-oxoethyl)-4-methoxypyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-ethoxy-2-oxoethyl)-4-methoxypyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122023854
Molecular FormulaC17H28N2O6
Molecular Weight356.42 g/mol
Exact Mass356.19
IUPAC Name4-[[2-(2-ethoxy-2-oxoethyl)-4-methoxypyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCCOC(=O)CC1CC(OC)CN1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C17H28N2O6/c1-3-25-15(20)9-13-8-14(24-2)10-19(13)17(23)18-12-6-4-11(5-7-12)16(21)22/h11-14H,3-10H2,1-2H3,(H,18,23)(H,21,22)
InChIKeySRRIWYFAQDKXRW-UHFFFAOYSA-N
XLogP1.38
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(2-ethoxy-2-oxoethyl)-4-methoxypyrrolidine-1-carbonyl]amino]cyclohexane-1-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

1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122013092
cis-(1R,3S)-3-[(4-ethoxy-4-oxobutanoyl)amino]cyclopentane-1-carboxylic acid
CID 106320773
3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032810
[(1S,3S)-3-methoxycyclopentyl]carbamic acid
CID 135318660
4-methoxy-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197469
ethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate
CID 121439164
3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66033021
2-[ethyl-[3-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122025883
(4-methoxycyclohexyl)carbamic acid
CID 68557751
ethyl carbonochloridate;4-hydrazinylcyclohexane-1-carboxylic acid
CID 174958669
4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 61457089
cis-(1R,3S)-3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319555

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-ethoxy-2-oxoethyl)-4-methoxypyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(2-ethoxy-2-oxoethyl)-4-methoxypyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 122023854) is 4-[[2-(2-ethoxy-2-oxoethyl)-4-methoxypyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-ethoxy-2-oxoethyl)-4-methoxypyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(2-ethoxy-2-oxoethyl)-4-methoxypyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is CCOC(=O)CC1CC(OC)CN1C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(2-ethoxy-2-oxoethyl)-4-methoxypyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is SRRIWYFAQDKXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O6/c1-3-25-15(20)9-13-8-14(24-2)10-19(13)17(23)18-12-6-4-11(5-7-12)16(21)22/h11-14H,3-10H2,1-2H3,(H,18,23)(H,21,22).
What are the key properties of 4-[[2-(2-ethoxy-2-oxoethyl)-4-methoxypyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(2-ethoxy-2-oxoethyl)-4-methoxypyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 356.42 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-ethoxy-2-oxoethyl)-4-methoxypyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122023854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).