trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid

C7H13NO2 — CID 55284582

IUPACtrans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid
SMILESC[C@]1(C(=O)O)CCC[C@H]1N
InChIInChI=1S/C7H13NO2/c1-7(6(9)10)4-2-3-5(7)8/h5H,2-4,8H2,1H3,(H,9,10)/t5-,7+/m1/s1
InChIKeyXAKRNSMEFCXCML-VDTYLAMSSA-N
MW143.19 g/mol
LogP0.59
Rot. Bonds1

About trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid

trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid (PubChem CID 55284582) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid
PubChem CID55284582
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nametrans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid
SMILESC[C@]1(C(=O)O)CCC[C@H]1N
InChIInChI=1S/C7H13NO2/c1-7(6(9)10)4-2-3-5(7)8/h5H,2-4,8H2,1H3,(H,9,10)/t5-,7+/m1/s1
InChIKeyXAKRNSMEFCXCML-VDTYLAMSSA-N
XLogP0.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid (CID 55284582) is trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid is C[C@]1(C(=O)O)CCC[C@H]1N.
What is the InChIKey of trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is XAKRNSMEFCXCML-VDTYLAMSSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(6(9)10)4-2-3-5(7)8/h5H,2-4,8H2,1H3,(H,9,10)/t5-,7+/m1/s1.
What are the key properties of trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid?
trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 143.19 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 55284582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).