trans-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid

C7H13NO2 — CID 66932920

IUPACtrans-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid
SMILESC[C@@]1(C(=O)O)CC[C@H](N)C1
InChIInChI=1S/C7H13NO2/c1-7(6(9)10)3-2-5(8)4-7/h5H,2-4,8H2,1H3,(H,9,10)/t5-,7+/m0/s1
InChIKeySPEYRPPFKLWNOK-CAHLUQPWSA-N
MW143.19 g/mol
LogP0.59
Rot. Bonds1

About trans-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid

trans-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid (PubChem CID 66932920) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is trans-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid
PubChem CID66932920
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nametrans-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid
SMILESC[C@@]1(C(=O)O)CC[C@H](N)C1
InChIInChI=1S/C7H13NO2/c1-7(6(9)10)3-2-5(8)4-7/h5H,2-4,8H2,1H3,(H,9,10)/t5-,7+/m0/s1
InChIKeySPEYRPPFKLWNOK-CAHLUQPWSA-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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Related Compounds

3-amino-1-methylcyclopentane-1-carboxylic acid
CID 67230266
cis-(1S,3S)-3-hydroxy-1-methylcyclopentane-1-carboxylic acid
CID 66753163
(3R)-3-aminocyclopentane-1,1-dicarboxylic acid
CID 54063246
3-methylbicyclo[4.1.0]heptane-3-carboxylic acid
CID 59761129
4-cyclopropyl-1-methylcyclohexane-1-carboxylic acid
CID 175206014
4-chloro-1-methylcyclohexane-1-carboxylic acid
CID 12547623
cis-(1R,3R)-3-amino-1-(trifluoromethyl)cyclopentane-1-carboxylic acid
CID 124633428
1,3-dimethylcyclohexane-1-carboxylic acid;gallane
CID 173230455
3-fluoro-1-methylcyclohexane-1-carboxylic acid
CID 84764228
3-aminocyclohexane-1,1-dicarboxylic acid
CID 139939403
trans-(1S,3R)-1,3,4,4-tetramethylcyclohexane-1-carboxylic acid
CID 826083
4-amino-1-fluorocyclohexane-1-carboxylic acid
CID 71757909

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid (CID 66932920) is trans-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid is C[C@@]1(C(=O)O)CC[C@H](N)C1.
What is the InChIKey of trans-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is SPEYRPPFKLWNOK-CAHLUQPWSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(6(9)10)3-2-5(8)4-7/h5H,2-4,8H2,1H3,(H,9,10)/t5-,7+/m0/s1.
What are the key properties of trans-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid?
trans-(1R,3S)-3-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-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 66932920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).