(1R,3S,4S)-3-amino-1,4-dimethylcyclopentane-1,3-dicarboxylic acid

C9H15NO4 — CID 99995862

IUPAC(1R,3S,4S)-3-amino-1,4-dimethylcyclopentane-1,3-dicarboxylic acid
SMILESC[C@H]1C[C@@](C)(C(=O)O)C[C@@]1(N)C(=O)O
InChIInChI=1S/C9H15NO4/c1-5-3-8(2,6(11)12)4-9(5,10)7(13)14/h5H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)/t5-,8+,9-/m0/s1
InChIKeyBWMZHQVCQWCSSV-NGESMGFYSA-N
MW201.22 g/mol
LogP0.29
Rot. Bonds2

About (1R,3S,4S)-3-amino-1,4-dimethylcyclopentane-1,3-dicarboxylic acid

(1R,3S,4S)-3-amino-1,4-dimethylcyclopentane-1,3-dicarboxylic acid (PubChem CID 99995862) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (1R,3S,4S)-3-amino-1,4-dimethylcyclopentane-1,3-dicarboxylic acid.

Molecular Properties

Compound Name(1R,3S,4S)-3-amino-1,4-dimethylcyclopentane-1,3-dicarboxylic acid
PubChem CID99995862
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(1R,3S,4S)-3-amino-1,4-dimethylcyclopentane-1,3-dicarboxylic acid
SMILESC[C@H]1C[C@@](C)(C(=O)O)C[C@@]1(N)C(=O)O
InChIInChI=1S/C9H15NO4/c1-5-3-8(2,6(11)12)4-9(5,10)7(13)14/h5H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)/t5-,8+,9-/m0/s1
InChIKeyBWMZHQVCQWCSSV-NGESMGFYSA-N
XLogP0.29
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,4S)-3-amino-1,4-dimethylcyclopentane-1,3-dicarboxylic acid?
The IUPAC name of (1R,3S,4S)-3-amino-1,4-dimethylcyclopentane-1,3-dicarboxylic acid (CID 99995862) is (1R,3S,4S)-3-amino-1,4-dimethylcyclopentane-1,3-dicarboxylic acid.
What is the SMILES notation for (1R,3S,4S)-3-amino-1,4-dimethylcyclopentane-1,3-dicarboxylic acid?
The canonical SMILES for (1R,3S,4S)-3-amino-1,4-dimethylcyclopentane-1,3-dicarboxylic acid is C[C@H]1C[C@@](C)(C(=O)O)C[C@@]1(N)C(=O)O.
What is the InChIKey of (1R,3S,4S)-3-amino-1,4-dimethylcyclopentane-1,3-dicarboxylic acid?
The InChIKey is BWMZHQVCQWCSSV-NGESMGFYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-5-3-8(2,6(11)12)4-9(5,10)7(13)14/h5H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)/t5-,8+,9-/m0/s1.
What are the key properties of (1R,3S,4S)-3-amino-1,4-dimethylcyclopentane-1,3-dicarboxylic acid?
(1R,3S,4S)-3-amino-1,4-dimethylcyclopentane-1,3-dicarboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4S)-3-amino-1,4-dimethylcyclopentane-1,3-dicarboxylic acid is sourced from PubChem (CID 99995862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).