trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid

C14H19NO2 — CID 10933381

IUPACtrans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
SMILESC[C@@H](N[C@@H]1CCC[C@H]1C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-10(11-6-3-2-4-7-11)15-13-9-5-8-12(13)14(16)17/h2-4,6-7,10,12-13,15H,5,8-9H2,1H3,(H,16,17)/t10-,12-,13-/m1/s1
InChIKeyMMRSAYGEYXDDDE-RAIGVLPGSA-N
MW233.31 g/mol
LogP2.59
Rot. Bonds4

About trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid

trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 10933381) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
PubChem CID10933381
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nametrans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
SMILESC[C@@H](N[C@@H]1CCC[C@H]1C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-10(11-6-3-2-4-7-11)15-13-9-5-8-12(13)14(16)17/h2-4,6-7,10,12-13,15H,5,8-9H2,1H3,(H,16,17)/t10-,12-,13-/m1/s1
InChIKeyMMRSAYGEYXDDDE-RAIGVLPGSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 11020794
(1S)-2-[[(1R)-1-phenylethyl]amino]-N-propan-2-ylcyclopentane-1-carboxamide
CID 143582335
1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
CID 23154294
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980
cis-(1R,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377362
trans-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860
trans-(1S,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377360
2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103246093
4-[[(1S)-1-phenylethyl]amino]oxolane-3-carboxylic acid
CID 175965674
2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103244298
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine;trans-ethyl (1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclohexane-1-carboxylate
CID 159534838
2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103240431

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid (CID 10933381) is trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid is C[C@@H](N[C@@H]1CCC[C@H]1C(=O)O)c1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is MMRSAYGEYXDDDE-RAIGVLPGSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(11-6-3-2-4-7-11)15-13-9-5-8-12(13)14(16)17/h2-4,6-7,10,12-13,15H,5,8-9H2,1H3,(H,16,17)/t10-,12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid?
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 10933381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).