cis-(1S,3R)-3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid

C13H21NO4 — CID 114092440

IUPACcis-(1S,3R)-3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESCOCC1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)C2)C1
InChIInChI=1S/C13H21NO4/c1-18-8-9-4-5-14(7-9)12(15)10-2-3-11(6-10)13(16)17/h9-11H,2-8H2,1H3,(H,16,17)/t9?,10-,11+/m1/s1
InChIKeyZWVFKPHQKGOUCE-ZOCYIJKUSA-N
MW255.31 g/mol
LogP0.98
Rot. Bonds4

About cis-(1S,3R)-3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid (PubChem CID 114092440) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is cis-(1S,3R)-3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
PubChem CID114092440
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Namecis-(1S,3R)-3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESCOCC1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)C2)C1
InChIInChI=1S/C13H21NO4/c1-18-8-9-4-5-14(7-9)12(15)10-2-3-11(6-10)13(16)17/h9-11H,2-8H2,1H3,(H,16,17)/t9?,10-,11+/m1/s1
InChIKeyZWVFKPHQKGOUCE-ZOCYIJKUSA-N
XLogP0.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[3-(trifluoromethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114271779
3-(2-fluoroethyl)-1-[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 167790436
1-(Ethoxycarbonyl)-3-pyrrolidinepropanoic acid
CID 14989187
cis-(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 58497800
(1S,3R)-3-(Pyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 66985196
3-(Pyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 66985199
cis-(1R,3S)-3-(diethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 124680986
6-Methoxy-3-[3-methoxypropyl(pentyl)carbamoyl]-6-oxohexanoic acid
CID 139663370
2-[1-[2-[Ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61072046
5-[Ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62964406
5-[3-(Methoxymethyl)pyrrolidin-1-yl]-5-oxopentanoic acid
CID 64569039
2-[1-[2-[3-(Methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid
CID 64569438

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid (CID 114092440) is cis-(1S,3R)-3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid is COCC1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)C2)C1.
What is the InChIKey of cis-(1S,3R)-3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZWVFKPHQKGOUCE-ZOCYIJKUSA-N. The full InChI is InChI=1S/C13H21NO4/c1-18-8-9-4-5-14(7-9)12(15)10-2-3-11(6-10)13(16)17/h9-11H,2-8H2,1H3,(H,16,17)/t9?,10-,11+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114092440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).