cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid

C16H30N2O4 — CID 127239829

IUPACcis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
SMILESN[C@@H]1CCCCC[C@@H]1C(=O)O.N[C@H]1CCCCC[C@H]1C(=O)O
InChIInChI=1S/2C8H15NO2/c2*9-7-5-3-1-2-4-6(7)8(10)11/h2*6-7H,1-5,9H2,(H,10,11)/t2*6-,7+/m10/s1
InChIKeyVDYQACFPRWLIKH-RMHGRBOHSA-N
MW314.43 g/mol
LogP1.96
Rot. Bonds2

About cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid

cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid (PubChem CID 127239829) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
PubChem CID127239829
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Namecis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
SMILESN[C@@H]1CCCCC[C@@H]1C(=O)O.N[C@H]1CCCCC[C@H]1C(=O)O
InChIInChI=1S/2C8H15NO2/c2*9-7-5-3-1-2-4-6(7)8(10)11/h2*6-7H,1-5,9H2,(H,10,11)/t2*6-,7+/m10/s1
InChIKeyVDYQACFPRWLIKH-RMHGRBOHSA-N
XLogP1.96
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-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

trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride
CID 131632809
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide
CID 24751167
trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 56971751
bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride
CID 2725066
trans-(1R,2R)-2-aminocycloheptane-1-carboxamide
CID 95970217
(2-aminocycloheptyl)-cyclopropylmethanone
CID 116595315
(2-aminocycloheptyl)-cyclopentylmethanone
CID 116595079
(2-aminocyclohexyl)-cycloheptylmethanone
CID 116580013
2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 64851846
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030768

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid (CID 127239829) is cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid is N[C@@H]1CCCCC[C@@H]1C(=O)O.N[C@H]1CCCCC[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid?
The InChIKey is VDYQACFPRWLIKH-RMHGRBOHSA-N. The full InChI is InChI=1S/2C8H15NO2/c2*9-7-5-3-1-2-4-6(7)8(10)11/h2*6-7H,1-5,9H2,(H,10,11)/t2*6-,7+/m10/s1.
What are the key properties of cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid?
cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid has a molecular weight of 314.43 g/mol, XLogP of 1.96, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid is sourced from PubChem (CID 127239829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).