3-amino-1-(3-methoxycyclohexyl)pyrrolidine-3-carboxylic acid

C12H22N2O3 — CID 107321554

IUPAC3-amino-1-(3-methoxycyclohexyl)pyrrolidine-3-carboxylic acid
SMILESCOC1CCCC(N2CCC(N)(C(=O)O)C2)C1
InChIInChI=1S/C12H22N2O3/c1-17-10-4-2-3-9(7-10)14-6-5-12(13,8-14)11(15)16/h9-10H,2-8,13H2,1H3,(H,15,16)
InChIKeyRXBSNLSKWOQKCU-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.43
Rot. Bonds3

About 3-amino-1-(3-methoxycyclohexyl)pyrrolidine-3-carboxylic acid

3-amino-1-(3-methoxycyclohexyl)pyrrolidine-3-carboxylic acid (PubChem CID 107321554) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-amino-1-(3-methoxycyclohexyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(3-methoxycyclohexyl)pyrrolidine-3-carboxylic acid
PubChem CID107321554
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-amino-1-(3-methoxycyclohexyl)pyrrolidine-3-carboxylic acid
SMILESCOC1CCCC(N2CCC(N)(C(=O)O)C2)C1
InChIInChI=1S/C12H22N2O3/c1-17-10-4-2-3-9(7-10)14-6-5-12(13,8-14)11(15)16/h9-10H,2-8,13H2,1H3,(H,15,16)
InChIKeyRXBSNLSKWOQKCU-UHFFFAOYSA-N
XLogP0.43
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid
CID 107320831
3-amino-1-cycloheptylpiperidine-3-carboxylic acid
CID 117011831
1-amino-3-(4-methoxypiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79637066
ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate
CID 113331181
4-(3-methoxycyclohexyl)-1,4-diazaspiro[5.5]undecane
CID 64833070
1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one
CID 162083212
(3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol
CID 66291270
3-amino-1-(2,4,4-trimethylcyclohexyl)pyrrolidine-3-carboxylic acid
CID 107321483
(3-methoxycyclohexyl) 1-aminocyclobutane-1-carboxylate
CID 81161404
3-amino-1-(1-phenylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
CID 107321169
3-amino-1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxylic acid
CID 107320785
1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine
CID 66201031

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methoxycyclohexyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(3-methoxycyclohexyl)pyrrolidine-3-carboxylic acid (CID 107321554) is 3-amino-1-(3-methoxycyclohexyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(3-methoxycyclohexyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(3-methoxycyclohexyl)pyrrolidine-3-carboxylic acid is COC1CCCC(N2CCC(N)(C(=O)O)C2)C1.
What is the InChIKey of 3-amino-1-(3-methoxycyclohexyl)pyrrolidine-3-carboxylic acid?
The InChIKey is RXBSNLSKWOQKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-17-10-4-2-3-9(7-10)14-6-5-12(13,8-14)11(15)16/h9-10H,2-8,13H2,1H3,(H,15,16).
What are the key properties of 3-amino-1-(3-methoxycyclohexyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(3-methoxycyclohexyl)pyrrolidine-3-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methoxycyclohexyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107321554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).