cis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid

C10H19NO2 — CID 124509233

IUPACcis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid
SMILESCC[C@@H]1CCC[C@](N)(C(=O)O)CC1
InChIInChI=1S/C10H19NO2/c1-2-8-4-3-6-10(11,7-5-8)9(12)13/h8H,2-7,11H2,1H3,(H,12,13)/t8-,10-/m1/s1
InChIKeyWQBRLPRBNVHUGR-PSASIEDQSA-N
MW185.27 g/mol
LogP1.76
Rot. Bonds2

About cis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid

cis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid (PubChem CID 124509233) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is cis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid
PubChem CID124509233
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namecis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid
SMILESCC[C@@H]1CCC[C@](N)(C(=O)O)CC1
InChIInChI=1S/C10H19NO2/c1-2-8-4-3-6-10(11,7-5-8)9(12)13/h8H,2-7,11H2,1H3,(H,12,13)/t8-,10-/m1/s1
InChIKeyWQBRLPRBNVHUGR-PSASIEDQSA-N
XLogP1.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(4-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79641894
1-(1-carboxycyclohexyl)-4-ethylcyclohexane-1-carboxylic acid
CID 70366227
1-aminocyclopentane-1-carboxylic acid
CID 2901
4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid
CID 114989210
1-amino-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 54880967
1-aminocyclotridecane-1-carboxylic acid
CID 53441426
1-aminocyclobutane-1-carboxylic acid;1-aminocyclopropane-1-carboxylic acid
CID 71060763
1-aminocyclohenicosane-1-carboxylic acid
CID 101359672
(1-amino-4-ethylcyclohexyl)methanol
CID 61055822
4-ethyl-1-(hydroxymethyl)cycloheptan-1-ol
CID 82713966
ethyl 4-ethyl-1-methylcycloheptane-1-carboxylate
CID 123793708
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266

Frequently Asked Questions

What is the IUPAC name of cis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid?
The IUPAC name of cis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid (CID 124509233) is cis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid?
The canonical SMILES for cis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid is CC[C@@H]1CCC[C@](N)(C(=O)O)CC1.
What is the InChIKey of cis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid?
The InChIKey is WQBRLPRBNVHUGR-PSASIEDQSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-8-4-3-6-10(11,7-5-8)9(12)13/h8H,2-7,11H2,1H3,(H,12,13)/t8-,10-/m1/s1.
What are the key properties of cis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid?
cis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid is sourced from PubChem (CID 124509233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).