(2R)-3-methyl-2-[[(1R,3S)-3-methyl-3-phenylcyclopentyl]amino]butanoic acid

C17H25NO2 — CID 129470140

IUPAC(2R)-3-methyl-2-[[(1R,3S)-3-methyl-3-phenylcyclopentyl]amino]butanoic acid
SMILESCC(C)[C@@H](N[C@@H]1CC[C@](C)(c2ccccc2)C1)C(=O)O
InChIInChI=1S/C17H25NO2/c1-12(2)15(16(19)20)18-14-9-10-17(3,11-14)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3,(H,19,20)/t14-,15-,17+/m1/s1
InChIKeyUKCXIESYQGVWJL-INMHGKMJSA-N
MW275.39 g/mol
LogP3.20
Rot. Bonds5

About (2R)-3-methyl-2-[[(1R,3S)-3-methyl-3-phenylcyclopentyl]amino]butanoic acid

(2R)-3-methyl-2-[[(1R,3S)-3-methyl-3-phenylcyclopentyl]amino]butanoic acid (PubChem CID 129470140) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2R)-3-methyl-2-[[(1R,3S)-3-methyl-3-phenylcyclopentyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[[(1R,3S)-3-methyl-3-phenylcyclopentyl]amino]butanoic acid
PubChem CID129470140
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2R)-3-methyl-2-[[(1R,3S)-3-methyl-3-phenylcyclopentyl]amino]butanoic acid
SMILESCC(C)[C@@H](N[C@@H]1CC[C@](C)(c2ccccc2)C1)C(=O)O
InChIInChI=1S/C17H25NO2/c1-12(2)15(16(19)20)18-14-9-10-17(3,11-14)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3,(H,19,20)/t14-,15-,17+/m1/s1
InChIKeyUKCXIESYQGVWJL-INMHGKMJSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[[(1R,3S)-3-methyl-3-phenylcyclopentyl]amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[[(1R,3S)-3-methyl-3-phenylcyclopentyl]amino]butanoic acid (CID 129470140) is (2R)-3-methyl-2-[[(1R,3S)-3-methyl-3-phenylcyclopentyl]amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[[(1R,3S)-3-methyl-3-phenylcyclopentyl]amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[[(1R,3S)-3-methyl-3-phenylcyclopentyl]amino]butanoic acid is CC(C)[C@@H](N[C@@H]1CC[C@](C)(c2ccccc2)C1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-[[(1R,3S)-3-methyl-3-phenylcyclopentyl]amino]butanoic acid?
The InChIKey is UKCXIESYQGVWJL-INMHGKMJSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)15(16(19)20)18-14-9-10-17(3,11-14)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3,(H,19,20)/t14-,15-,17+/m1/s1.
What are the key properties of (2R)-3-methyl-2-[[(1R,3S)-3-methyl-3-phenylcyclopentyl]amino]butanoic acid?
(2R)-3-methyl-2-[[(1R,3S)-3-methyl-3-phenylcyclopentyl]amino]butanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[[(1R,3S)-3-methyl-3-phenylcyclopentyl]amino]butanoic acid is sourced from PubChem (CID 129470140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).